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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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-fc55b52d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-fc55b52d/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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -119.433021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.433021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.433021 (E_RNA)
where:
Base-Base interactions energy: -62.072
where: short stacking energy: -34.958
Base-Backbone interact. energy: -0.488
local terms energy: -56.872974
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -9.794
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -124.342844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.342844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.342844 (E_RNA)
where:
Base-Base interactions energy: -70.118
where: short stacking energy: -31.972
Base-Backbone interact. energy: -0.180
local terms energy: -54.045503
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -146.446447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.446447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.446447 (E_RNA)
where:
Base-Base interactions energy: -82.688
where: short stacking energy: -40.972
Base-Backbone interact. energy: -0.062
local terms energy: -63.696722
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -11.763
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: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -112.841987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.841987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.841987 (E_RNA)
where:
Base-Base interactions energy: -48.569
where: short stacking energy: -48.769
Base-Backbone interact. energy: -0.090
local terms energy: -64.182242
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -8.616
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: 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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -115.070457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.070457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.070457 (E_RNA)
where:
Base-Base interactions energy: -64.260
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.265
local terms energy: -50.545512
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -181.190478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.190478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.190478 (E_RNA)
where:
Base-Base interactions energy: -120.973
where: short stacking energy: -57.383
Base-Backbone interact. energy: -0.004
local terms energy: -60.213380
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -136.095287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.095287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.095287 (E_RNA)
where:
Base-Base interactions energy: -70.539
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.084
local terms energy: -65.472949
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -93.093015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.093015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.093015 (E_RNA)
where:
Base-Base interactions energy: -35.242
where: short stacking energy: -31.285
Base-Backbone interact. energy: -0.188
local terms energy: -57.663245
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -106.446860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.446860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.446860 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.744
local terms energy: -56.794332
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -183.974647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.974647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.974647 (E_RNA)
where:
Base-Base interactions energy: -109.294
where: short stacking energy: -57.700
Base-Backbone interact. energy: -0.713
local terms energy: -73.967001
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -161.918769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.918769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.918769 (E_RNA)
where:
Base-Base interactions energy: -99.017
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.386
local terms energy: -62.515934
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -151.764888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.764888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.764888 (E_RNA)
where:
Base-Base interactions energy: -86.945
where: short stacking energy: -42.495
Base-Backbone interact. energy: -0.267
local terms energy: -64.553480
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -106.175927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.175927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.175927 (E_RNA)
where:
Base-Base interactions energy: -48.425
where: short stacking energy: -38.335
Base-Backbone interact. energy: -0.643
local terms energy: -57.108016
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -124.026398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.026398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.026398 (E_RNA)
where:
Base-Base interactions energy: -65.321
where: short stacking energy: -34.748
Base-Backbone interact. energy: -0.048
local terms energy: -58.657111
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -135.612188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.612188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.612188 (E_RNA)
where:
Base-Base interactions energy: -80.973
where: short stacking energy: -38.979
Base-Backbone interact. energy: 2.761
local terms energy: -57.399733
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -192.392988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.392988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.392988 (E_RNA)
where:
Base-Base interactions energy: -119.532
where: short stacking energy: -59.507
Base-Backbone interact. energy: 0.260
local terms energy: -73.120570
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -171.283700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.283700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.283700 (E_RNA)
where:
Base-Base interactions energy: -98.582
where: short stacking energy: -62.401
Base-Backbone interact. energy: 0.504
local terms energy: -73.205264
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -8.870
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: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -167.630762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.630762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.630762 (E_RNA)
where:
Base-Base interactions energy: -97.136
where: short stacking energy: -45.613
Base-Backbone interact. energy: -0.795
local terms energy: -69.699694
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -99.076935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.076935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.076935 (E_RNA)
where:
Base-Base interactions energy: -39.666
where: short stacking energy: -39.666
Base-Backbone interact. energy: -0.073
local terms energy: -59.338728
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -9.401
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: 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: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -116.186270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.186270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.186270 (E_RNA)
where:
Base-Base interactions energy: -74.120
where: short stacking energy: -41.460
Base-Backbone interact. energy: -0.219
local terms energy: -41.847994
where:
bonds (distance) C4'-P energy: -3.661
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -3.583
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: 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: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -83.025503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.025503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.025503 (E_RNA)
where:
Base-Base interactions energy: -36.408
where: short stacking energy: -29.654
Base-Backbone interact. energy: -1.032
local terms energy: -45.584897
where:
bonds (distance) C4'-P energy: -4.481
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -184.650731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.650731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.650731 (E_RNA)
where:
Base-Base interactions energy: -115.879
where: short stacking energy: -53.244
Base-Backbone interact. energy: 2.177
local terms energy: -70.949167
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -173.625552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.625552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.625552 (E_RNA)
where:
Base-Base interactions energy: -101.176
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.049
local terms energy: -72.400915
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -18.146
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -152.365596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.365596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.365596 (E_RNA)
where:
Base-Base interactions energy: -85.084
where: short stacking energy: -46.751
Base-Backbone interact. energy: -1.085
local terms energy: -66.196947
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -13.096
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: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -108.805339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.805339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.805339 (E_RNA)
where:
Base-Base interactions energy: -47.740
where: short stacking energy: -41.158
Base-Backbone interact. energy: -0.622
local terms energy: -60.444087
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -116.394348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.394348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.394348 (E_RNA)
where:
Base-Base interactions energy: -59.560
where: short stacking energy: -38.882
Base-Backbone interact. energy: -0.234
local terms energy: -56.600473
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -6.917
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: 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: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -127.091594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.091594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.091594 (E_RNA)
where:
Base-Base interactions energy: -71.678
where: short stacking energy: -32.755
Base-Backbone interact. energy: -0.185
local terms energy: -55.228724
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -80.634648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.634648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.634648 (E_RNA)
where:
Base-Base interactions energy: -42.741
where: short stacking energy: -23.542
Base-Backbone interact. energy: 1.334
local terms energy: -39.227910
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -1.565
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: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -107.562179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.562179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.562179 (E_RNA)
where:
Base-Base interactions energy: -49.026
where: short stacking energy: -24.321
Base-Backbone interact. energy: -0.148
local terms energy: -58.388413
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -172.989898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.989898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.989898 (E_RNA)
where:
Base-Base interactions energy: -96.679
where: short stacking energy: -50.236
Base-Backbone interact. energy: -0.292
local terms energy: -76.018957
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -15.550
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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -182.559712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.559712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.559712 (E_RNA)
where:
Base-Base interactions energy: -114.000
where: short stacking energy: -47.791
Base-Backbone interact. energy: -0.044
local terms energy: -68.515917
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -191.159492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.159492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.159492 (E_RNA)
where:
Base-Base interactions energy: -123.866
where: short stacking energy: -50.499
Base-Backbone interact. energy: -0.488
local terms energy: -66.806008
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.196
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: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -102.632162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.632162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.632162 (E_RNA)
where:
Base-Base interactions energy: -38.127
where: short stacking energy: -29.841
Base-Backbone interact. energy: -0.017
local terms energy: -64.488088
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -102.516664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.516664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.516664 (E_RNA)
where:
Base-Base interactions energy: -37.183
where: short stacking energy: -37.783
Base-Backbone interact. energy: -0.369
local terms energy: -64.964993
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -10.632
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: 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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -133.740556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.740556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.740556 (E_RNA)
where:
Base-Base interactions energy: -84.057
where: short stacking energy: -33.744
Base-Backbone interact. energy: -0.325
local terms energy: -49.358683
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -74.452485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.452485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.452485 (E_RNA)
where:
Base-Base interactions energy: -21.111
where: short stacking energy: -18.970
Base-Backbone interact. energy: 0.860
local terms energy: -54.201588
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -77.273264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.273264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.273264 (E_RNA)
where:
Base-Base interactions energy: -22.203
where: short stacking energy: -19.489
Base-Backbone interact. energy: -0.211
local terms energy: -54.858450
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -7.699
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: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -176.860681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.860681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.860681 (E_RNA)
where:
Base-Base interactions energy: -106.104
where: short stacking energy: -60.734
Base-Backbone interact. energy: -0.303
local terms energy: -70.453798
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -14.112
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: 6
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -178.039073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.039073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.039073 (E_RNA)
where:
Base-Base interactions energy: -104.099
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.341
local terms energy: -73.599269
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -198.927179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.927179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.927179 (E_RNA)
where:
Base-Base interactions energy: -128.644
where: short stacking energy: -60.442
Base-Backbone interact. energy: -0.023
local terms energy: -70.260443
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -171.684142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.684142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.684142 (E_RNA)
where:
Base-Base interactions energy: -104.810
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.084
local terms energy: -66.790278
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -122.120493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.120493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.120493 (E_RNA)
where:
Base-Base interactions energy: -52.616
where: short stacking energy: -42.383
Base-Backbone interact. energy: -0.158
local terms energy: -69.346580
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -100.842660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.842660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.842660 (E_RNA)
where:
Base-Base interactions energy: -44.513
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.077
local terms energy: -56.253296
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -6.959
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: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -91.229731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.229731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.229731 (E_RNA)
where:
Base-Base interactions energy: -42.195
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.260
local terms energy: -48.774612
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -85.115450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.115450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.115450 (E_RNA)
where:
Base-Base interactions energy: -32.279
where: short stacking energy: -32.279
Base-Backbone interact. energy: 0.603
local terms energy: -53.438754
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -6.978
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: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -73.698186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.698186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.698186 (E_RNA)
where:
Base-Base interactions energy: -28.348
where: short stacking energy: -28.348
Base-Backbone interact. energy: 2.329
local terms energy: -47.679113
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -162.787199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.787199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.787199 (E_RNA)
where:
Base-Base interactions energy: -95.498
where: short stacking energy: -56.436
Base-Backbone interact. energy: -0.051
local terms energy: -67.237916
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -205.780198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.780198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.780198 (E_RNA)
where:
Base-Base interactions energy: -130.799
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.002
local terms energy: -74.979015
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -188.244000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.244000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.244000 (E_RNA)
where:
Base-Base interactions energy: -126.713
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.044
local terms energy: -61.487713
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -14.883
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: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -181.079804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.079804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.079804 (E_RNA)
where:
Base-Base interactions energy: -114.857
where: short stacking energy: -60.764
Base-Backbone interact. energy: -0.086
local terms energy: -66.136700
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -11.199
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: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -114.499986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.499986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.499986 (E_RNA)
where:
Base-Base interactions energy: -52.871
where: short stacking energy: -52.342
Base-Backbone interact. energy: 0.650
local terms energy: -62.279322
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -11.523
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: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -108.153602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.153602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.153602 (E_RNA)
where:
Base-Base interactions energy: -57.013
where: short stacking energy: -36.562
Base-Backbone interact. energy: -0.972
local terms energy: -50.168353
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -84.193764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.193764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.193764 (E_RNA)
where:
Base-Base interactions energy: -29.535
where: short stacking energy: -27.754
Base-Backbone interact. energy: 0.278
local terms energy: -54.936210
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -89.170631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.170631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.170631 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.034
local terms energy: -53.551803
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -11.038
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: 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: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -77.530381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.530381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.530381 (E_RNA)
where:
Base-Base interactions energy: -32.439
where: short stacking energy: -27.514
Base-Backbone interact. energy: -0.058
local terms energy: -45.033017
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -207.486762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.486762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.486762 (E_RNA)
where:
Base-Base interactions energy: -129.657
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.039
local terms energy: -77.790815
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -171.900959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.900959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.900959 (E_RNA)
where:
Base-Base interactions energy: -98.980
where: short stacking energy: -55.824
Base-Backbone interact. energy: -0.051
local terms energy: -72.869564
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -198.718251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.718251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.718251 (E_RNA)
where:
Base-Base interactions energy: -123.717
where: short stacking energy: -62.798
Base-Backbone interact. energy: -0.000
local terms energy: -75.000676
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -8.471
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: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -154.223180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.223180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.223180 (E_RNA)
where:
Base-Base interactions energy: -84.639
where: short stacking energy: -47.835
Base-Backbone interact. energy: -0.005
local terms energy: -69.578968
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -117.143256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.143256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.143256 (E_RNA)
where:
Base-Base interactions energy: -57.367
where: short stacking energy: -42.047
Base-Backbone interact. energy: 0.671
local terms energy: -60.447152
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -94.963880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.963880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.963880 (E_RNA)
where:
Base-Base interactions energy: -47.086
where: short stacking energy: -34.803
Base-Backbone interact. energy: -0.146
local terms energy: -47.731886
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -92.334078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.334078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.334078 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -36.899
Base-Backbone interact. energy: -0.139
local terms energy: -55.295784
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -99.394740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.394740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.394740 (E_RNA)
where:
Base-Base interactions energy: -41.730
where: short stacking energy: -40.035
Base-Backbone interact. energy: 0.880
local terms energy: -58.545619
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -73.280712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.280712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.280712 (E_RNA)
where:
Base-Base interactions energy: -33.861
where: short stacking energy: -20.359
Base-Backbone interact. energy: 0.921
local terms energy: -40.340688
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -211.026362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.026362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.026362 (E_RNA)
where:
Base-Base interactions energy: -134.258
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.044
local terms energy: -76.724307
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -206.987165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.987165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.987165 (E_RNA)
where:
Base-Base interactions energy: -128.611
where: short stacking energy: -72.060
Base-Backbone interact. energy: -0.886
local terms energy: -77.489556
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -171.452879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.452879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.452879 (E_RNA)
where:
Base-Base interactions energy: -100.901
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.287
local terms energy: -70.265337
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -8.907
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -165.584944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.584944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.584944 (E_RNA)
where:
Base-Base interactions energy: -97.155
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.676
local terms energy: -67.754029
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -118.912149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.912149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.912149 (E_RNA)
where:
Base-Base interactions energy: -62.207
where: short stacking energy: -45.767
Base-Backbone interact. energy: -0.399
local terms energy: -56.306272
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -9.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -104.731851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.731851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.731851 (E_RNA)
where:
Base-Base interactions energy: -43.089
where: short stacking energy: -38.903
Base-Backbone interact. energy: -0.187
local terms energy: -61.455828
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -7.623
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: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -94.611006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.611006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.611006 (E_RNA)
where:
Base-Base interactions energy: -36.066
where: short stacking energy: -26.302
Base-Backbone interact. energy: -0.232
local terms energy: -58.312734
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -1.164
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: 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: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -82.232780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.232780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.232780 (E_RNA)
where:
Base-Base interactions energy: -30.249
where: short stacking energy: -30.249
Base-Backbone interact. energy: -0.009
local terms energy: -51.975081
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -11.004
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: 4
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -75.769872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.769872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.769872 (E_RNA)
where:
Base-Base interactions energy: -27.044
where: short stacking energy: -27.444
Base-Backbone interact. energy: 1.619
local terms energy: -50.345102
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -8.233
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: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -210.886942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.886942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.886942 (E_RNA)
where:
Base-Base interactions energy: -134.000
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.031
local terms energy: -76.856535
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -201.390349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.390349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.390349 (E_RNA)
where:
Base-Base interactions energy: -121.723
where: short stacking energy: -62.353
Base-Backbone interact. energy: -1.271
local terms energy: -78.396400
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -20.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -168.448057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.448057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.448057 (E_RNA)
where:
Base-Base interactions energy: -97.725
where: short stacking energy: -51.866
Base-Backbone interact. energy: -0.322
local terms energy: -70.400989
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -154.327724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.327724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.327724 (E_RNA)
where:
Base-Base interactions energy: -97.683
where: short stacking energy: -51.764
Base-Backbone interact. energy: -0.162
local terms energy: -56.483376
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -142.038449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.038449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.038449 (E_RNA)
where:
Base-Base interactions energy: -75.216
where: short stacking energy: -46.813
Base-Backbone interact. energy: -0.233
local terms energy: -66.588824
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -102.925803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.925803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.925803 (E_RNA)
where:
Base-Base interactions energy: -40.924
where: short stacking energy: -37.732
Base-Backbone interact. energy: 0.972
local terms energy: -62.974361
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -81.553792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553792 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -40.292
Base-Backbone interact. energy: -0.183
local terms energy: -39.396845
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -0.881
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -88.013559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.013559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.013559 (E_RNA)
where:
Base-Base interactions energy: -36.358
where: short stacking energy: -29.330
Base-Backbone interact. energy: -0.412
local terms energy: -51.242857
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -87.229722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229722 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.234
local terms energy: -53.956720
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -7.899
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: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -218.300162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.300162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.300162 (E_RNA)
where:
Base-Base interactions energy: -148.708
where: short stacking energy: -62.112
Base-Backbone interact. energy: -0.052
local terms energy: -69.539366
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -192.988524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.988524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988524 (E_RNA)
where:
Base-Base interactions energy: -127.707
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.065
local terms energy: -65.215908
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -17.507
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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -181.277412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.277412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.277412 (E_RNA)
where:
Base-Base interactions energy: -110.767
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.461
local terms energy: -70.049380
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -168.654563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.654563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.654563 (E_RNA)
where:
Base-Base interactions energy: -105.465
where: short stacking energy: -50.210
Base-Backbone interact. energy: -0.274
local terms energy: -62.915696
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -10.244
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: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -159.116090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.116090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.116090 (E_RNA)
where:
Base-Base interactions energy: -101.779
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.006
local terms energy: -57.331300
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -9.135
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: 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: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -91.767650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.767650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.767650 (E_RNA)
where:
Base-Base interactions energy: -40.600
where: short stacking energy: -33.779
Base-Backbone interact. energy: 0.126
local terms energy: -51.294192
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -11.241
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: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -92.109317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.109317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.109317 (E_RNA)
where:
Base-Base interactions energy: -42.458
where: short stacking energy: -19.189
Base-Backbone interact. energy: -2.053
local terms energy: -47.598710
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -91.010259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010259 (E_RNA)
where:
Base-Base interactions energy: -41.270
where: short stacking energy: -35.378
Base-Backbone interact. energy: -0.034
local terms energy: -49.706279
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: 0.624
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -94.766686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.766686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.766686 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -38.274
Base-Backbone interact. energy: -0.007
local terms energy: -53.884603
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -9.550
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: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -205.811516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.811516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.811516 (E_RNA)
where:
Base-Base interactions energy: -129.281
where: short stacking energy: -76.407
Base-Backbone interact. energy: -0.122
local terms energy: -76.409106
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -19.871
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: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -212.614049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.614049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.614049 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.254
local terms energy: -64.304721
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -7.419
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -11.434
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: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -178.500745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.500745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.500745 (E_RNA)
where:
Base-Base interactions energy: -111.682
where: short stacking energy: -62.784
Base-Backbone interact. energy: 1.029
local terms energy: -67.848463
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -165.845304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.845304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.845304 (E_RNA)
where:
Base-Base interactions energy: -97.904
where: short stacking energy: -48.813
Base-Backbone interact. energy: -0.153
local terms energy: -67.787870
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -10.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -158.860865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.860865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.860865 (E_RNA)
where:
Base-Base interactions energy: -91.603
where: short stacking energy: -51.991
Base-Backbone interact. energy: -0.514
local terms energy: -66.744040
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -12.564
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: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -88.226629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.226629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.226629 (E_RNA)
where:
Base-Base interactions energy: -35.079
where: short stacking energy: -18.655
Base-Backbone interact. energy: -0.024
local terms energy: -53.124000
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: 1.337
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: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -94.975163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.975163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.975163 (E_RNA)
where:
Base-Base interactions energy: -47.249
where: short stacking energy: -39.749
Base-Backbone interact. energy: -0.233
local terms energy: -47.492168
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -7.360
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -8.102
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: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -90.212841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.212841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.212841 (E_RNA)
where:
Base-Base interactions energy: -45.530
where: short stacking energy: -27.015
Base-Backbone interact. energy: 0.771
local terms energy: -45.453790
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: 1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -87.544898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.544898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.544898 (E_RNA)
where:
Base-Base interactions energy: -26.847
where: short stacking energy: -25.064
Base-Backbone interact. energy: -0.137
local terms energy: -60.560832
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -201.164703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.164703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.164703 (E_RNA)
where:
Base-Base interactions energy: -125.467
where: short stacking energy: -69.455
Base-Backbone interact. energy: 0.294
local terms energy: -75.992175
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -181.892453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.892453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.892453 (E_RNA)
where:
Base-Base interactions energy: -112.854
where: short stacking energy: -57.683
Base-Backbone interact. energy: -0.334
local terms energy: -68.704237
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -194.871139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.871139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.871139 (E_RNA)
where:
Base-Base interactions energy: -127.375
where: short stacking energy: -54.338
Base-Backbone interact. energy: -0.109
local terms energy: -67.387290
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -179.237387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.237387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.237387 (E_RNA)
where:
Base-Base interactions energy: -105.565
where: short stacking energy: -56.790
Base-Backbone interact. energy: -0.043
local terms energy: -73.629289
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -14.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -172.516822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.516822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.516822 (E_RNA)
where:
Base-Base interactions energy: -105.756
where: short stacking energy: -55.286
Base-Backbone interact. energy: -0.112
local terms energy: -66.648774
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -17.787
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: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -104.361366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.361366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.361366 (E_RNA)
where:
Base-Base interactions energy: -48.638
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.563
local terms energy: -55.160830
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -5.276
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: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -160.053784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.053784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.053784 (E_RNA)
where:
Base-Base interactions energy: -114.235
where: short stacking energy: -47.229
Base-Backbone interact. energy: -0.389
local terms energy: -45.429554
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -82.076792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.076792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.076792 (E_RNA)
where:
Base-Base interactions energy: -34.028
where: short stacking energy: -22.327
Base-Backbone interact. energy: -0.235
local terms energy: -47.814049
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -5.643
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: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -103.206138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.206138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.206138 (E_RNA)
where:
Base-Base interactions energy: -63.139
where: short stacking energy: -31.580
Base-Backbone interact. energy: -0.274
local terms energy: -39.793569
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -6.738
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: 1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -75.289529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.289529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.289529 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -25.292
Base-Backbone interact. energy: -0.174
local terms energy: -47.933800
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -195.696338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.696338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.696338 (E_RNA)
where:
Base-Base interactions energy: -120.771
where: short stacking energy: -65.749
Base-Backbone interact. energy: -0.565
local terms energy: -74.360396
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -177.260355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.260355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.260355 (E_RNA)
where:
Base-Base interactions energy: -110.435
where: short stacking energy: -52.467
Base-Backbone interact. energy: 0.743
local terms energy: -67.568144
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -14.671
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: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -175.437293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.437293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.437293 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -71.834
Base-Backbone interact. energy: -0.141
local terms energy: -62.872964
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -194.637703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.637703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.637703 (E_RNA)
where:
Base-Base interactions energy: -128.020
where: short stacking energy: -55.077
Base-Backbone interact. energy: -0.051
local terms energy: -66.566025
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -119.768255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.768255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.768255 (E_RNA)
where:
Base-Base interactions energy: -56.291
where: short stacking energy: -51.710
Base-Backbone interact. energy: -0.096
local terms energy: -63.381290
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -176.469050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.469050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.469050 (E_RNA)
where:
Base-Base interactions energy: -111.990
where: short stacking energy: -55.412
Base-Backbone interact. energy: 0.678
local terms energy: -65.157293
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -157.354423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.354423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.354423 (E_RNA)
where:
Base-Base interactions energy: -101.273
where: short stacking energy: -42.058
Base-Backbone interact. energy: -0.409
local terms energy: -55.672645
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -85.636509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.636509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.636509 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -19.775
Base-Backbone interact. energy: -0.101
local terms energy: -46.895651
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -90.556866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.556866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.556866 (E_RNA)
where:
Base-Base interactions energy: -41.954
where: short stacking energy: -38.533
Base-Backbone interact. energy: 2.970
local terms energy: -51.572948
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -8.464
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -76.400373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.400373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.400373 (E_RNA)
where:
Base-Base interactions energy: -38.299
where: short stacking energy: -25.062
Base-Backbone interact. energy: -1.160
local terms energy: -36.941130
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -4.782
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -0.289
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: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -201.055763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.055763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.055763 (E_RNA)
where:
Base-Base interactions energy: -125.902
where: short stacking energy: -63.201
Base-Backbone interact. energy: -0.003
local terms energy: -75.150668
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -181.337857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.337857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.337857 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -50.677
Base-Backbone interact. energy: 2.407
local terms energy: -66.228720
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -183.330947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.330947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.330947 (E_RNA)
where:
Base-Base interactions energy: -116.144
where: short stacking energy: -54.424
Base-Backbone interact. energy: 1.719
local terms energy: -68.906638
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -16.448
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: 19
Temperature: 1.050000
Total energy: -206.541788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.541788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.541788 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.054
local terms energy: -73.217820
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -133.745314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.745314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.745314 (E_RNA)
where:
Base-Base interactions energy: -78.939
where: short stacking energy: -39.438
Base-Backbone interact. energy: -0.057
local terms energy: -54.749135
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -166.113680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113680 (E_RNA)
where:
Base-Base interactions energy: -110.121
where: short stacking energy: -49.456
Base-Backbone interact. energy: -0.430
local terms energy: -55.562143
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -169.220665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.220665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.220665 (E_RNA)
where:
Base-Base interactions energy: -108.258
where: short stacking energy: -50.193
Base-Backbone interact. energy: -0.875
local terms energy: -60.087250
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -96.555297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.555297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.555297 (E_RNA)
where:
Base-Base interactions energy: -45.719
where: short stacking energy: -35.277
Base-Backbone interact. energy: 0.827
local terms energy: -51.663536
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -73.708648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.708648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.708648 (E_RNA)
where:
Base-Base interactions energy: -27.166
where: short stacking energy: -25.313
Base-Backbone interact. energy: -0.242
local terms energy: -46.300715
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -84.571488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.571488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.571488 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -21.584
Base-Backbone interact. energy: -0.779
local terms energy: -41.273419
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -2.086
tors. eta vs tors. theta energy: 2.155
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: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -201.230767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.230767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.230767 (E_RNA)
where:
Base-Base interactions energy: -119.785
where: short stacking energy: -74.452
Base-Backbone interact. energy: -2.073
local terms energy: -79.372959
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -188.995095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.995095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.995095 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -64.577
Base-Backbone interact. energy: 0.573
local terms energy: -69.807507
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -197.998061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.998061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.998061 (E_RNA)
where:
Base-Base interactions energy: -134.299
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.246
local terms energy: -63.452911
where:
bonds (distance) C4'-P energy: -6.109
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -197.555999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.555999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.555999 (E_RNA)
where:
Base-Base interactions energy: -122.517
where: short stacking energy: -61.569
Base-Backbone interact. energy: -0.102
local terms energy: -74.936967
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -176.804434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.804434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.804434 (E_RNA)
where:
Base-Base interactions energy: -115.629
where: short stacking energy: -52.150
Base-Backbone interact. energy: -0.369
local terms energy: -60.806838
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -139.261514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.261514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.261514 (E_RNA)
where:
Base-Base interactions energy: -85.033
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.496
local terms energy: -53.732495
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -146.066251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.066251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.066251 (E_RNA)
where:
Base-Base interactions energy: -93.244
where: short stacking energy: -53.291
Base-Backbone interact. energy: -0.027
local terms energy: -52.794917
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -8.617
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -98.282372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.282372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.282372 (E_RNA)
where:
Base-Base interactions energy: -43.900
where: short stacking energy: -42.387
Base-Backbone interact. energy: -0.052
local terms energy: -54.330708
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -87.825299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.825299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.825299 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -24.589
Base-Backbone interact. energy: -0.482
local terms energy: -55.666608
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -75.828175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.828175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.828175 (E_RNA)
where:
Base-Base interactions energy: -26.882
where: short stacking energy: -23.855
Base-Backbone interact. energy: -1.352
local terms energy: -47.594235
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -195.538984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.538984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.538984 (E_RNA)
where:
Base-Base interactions energy: -118.256
where: short stacking energy: -56.634
Base-Backbone interact. energy: -0.586
local terms energy: -76.697035
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -12.898
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: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -203.289142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.289142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.289142 (E_RNA)
where:
Base-Base interactions energy: -135.341
where: short stacking energy: -52.704
Base-Backbone interact. energy: -0.003
local terms energy: -67.945957
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -16.413
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: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -198.716306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.716306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.716306 (E_RNA)
where:
Base-Base interactions energy: -132.664
where: short stacking energy: -54.640
Base-Backbone interact. energy: 0.092
local terms energy: -66.144767
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -8.731
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: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -186.748805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.748805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.748805 (E_RNA)
where:
Base-Base interactions energy: -122.003
where: short stacking energy: -44.934
Base-Backbone interact. energy: -0.093
local terms energy: -64.653020
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -172.581058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.581058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.581058 (E_RNA)
where:
Base-Base interactions energy: -103.648
where: short stacking energy: -60.350
Base-Backbone interact. energy: -0.238
local terms energy: -68.694804
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -14.397
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: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -139.807925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.807925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.807925 (E_RNA)
where:
Base-Base interactions energy: -85.590
where: short stacking energy: -40.693
Base-Backbone interact. energy: -2.336
local terms energy: -51.882584
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -147.793777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.793777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.793777 (E_RNA)
where:
Base-Base interactions energy: -102.250
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.271
local terms energy: -45.272831
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -87.815764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815764 (E_RNA)
where:
Base-Base interactions energy: -32.696
where: short stacking energy: -32.696
Base-Backbone interact. energy: -0.048
local terms energy: -55.071936
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -80.934064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.934064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.934064 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -31.019
Base-Backbone interact. energy: -0.207
local terms energy: -49.708313
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -4.631
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: 21
Temperature: 1.350000
Total energy: -69.709289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.709289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.709289 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -23.726
Base-Backbone interact. energy: -0.144
local terms energy: -40.505960
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -11.488
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: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -230.802130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.802130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.802130 (E_RNA)
where:
Base-Base interactions energy: -154.771
where: short stacking energy: -72.391
Base-Backbone interact. energy: -0.044
local terms energy: -75.987317
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.963
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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -193.263081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.263081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.263081 (E_RNA)
where:
Base-Base interactions energy: -123.685
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.140
local terms energy: -69.437512
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -205.340907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.340907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.340907 (E_RNA)
where:
Base-Base interactions energy: -142.768
where: short stacking energy: -60.693
Base-Backbone interact. energy: -0.156
local terms energy: -62.416534
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -215.543161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.543161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.543161 (E_RNA)
where:
Base-Base interactions energy: -145.217
where: short stacking energy: -62.260
Base-Backbone interact. energy: -0.210
local terms energy: -70.116625
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -177.474744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.474744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.474744 (E_RNA)
where:
Base-Base interactions energy: -122.102
where: short stacking energy: -48.060
Base-Backbone interact. energy: -0.406
local terms energy: -54.966583
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -146.092566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.092566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.092566 (E_RNA)
where:
Base-Base interactions energy: -89.209
where: short stacking energy: -43.388
Base-Backbone interact. energy: 0.153
local terms energy: -57.036221
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -8.414
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: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -116.913929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.913929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.913929 (E_RNA)
where:
Base-Base interactions energy: -63.320
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.103
local terms energy: -53.490498
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -100.988437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.988437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.988437 (E_RNA)
where:
Base-Base interactions energy: -44.862
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.083
local terms energy: -56.043712
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -83.657157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.657157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.657157 (E_RNA)
where:
Base-Base interactions energy: -34.296
where: short stacking energy: -23.823
Base-Backbone interact. energy: -0.165
local terms energy: -49.196834
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -74.826150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.826150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.826150 (E_RNA)
where:
Base-Base interactions energy: -21.194
where: short stacking energy: -20.621
Base-Backbone interact. energy: -0.250
local terms energy: -53.381802
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -11.293
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: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -224.408072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.408072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.408072 (E_RNA)
where:
Base-Base interactions energy: -142.713
where: short stacking energy: -68.479
Base-Backbone interact. energy: 0.098
local terms energy: -81.793200
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -216.046304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.046304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.046304 (E_RNA)
where:
Base-Base interactions energy: -143.503
where: short stacking energy: -60.627
Base-Backbone interact. energy: -0.059
local terms energy: -72.484952
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -15.592
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: 23
Temperature: 1.000000
Total energy: -182.647873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.647873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.647873 (E_RNA)
where:
Base-Base interactions energy: -117.900
where: short stacking energy: -49.519
Base-Backbone interact. energy: -0.830
local terms energy: -63.917501
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -8.154
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -181.817860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.817860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.817860 (E_RNA)
where:
Base-Base interactions energy: -118.423
where: short stacking energy: -49.311
Base-Backbone interact. energy: -1.198
local terms energy: -62.196832
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -207.495500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.495500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.495500 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -52.957
Base-Backbone interact. energy: -0.033
local terms energy: -68.438991
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -9.684
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: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -111.962242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.962242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.962242 (E_RNA)
where:
Base-Base interactions energy: -50.134
where: short stacking energy: -41.916
Base-Backbone interact. energy: -0.033
local terms energy: -61.795214
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -8.452
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: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -157.661276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.661276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.661276 (E_RNA)
where:
Base-Base interactions energy: -92.366
where: short stacking energy: -53.384
Base-Backbone interact. energy: -0.419
local terms energy: -64.875886
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -90.897986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.897986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.897986 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -31.146
Base-Backbone interact. energy: -1.526
local terms energy: -59.025819
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -2.644
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: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -99.155846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.155846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.155846 (E_RNA)
where:
Base-Base interactions energy: -51.699
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.092
local terms energy: -47.364547
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -79.999154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.999154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.999154 (E_RNA)
where:
Base-Base interactions energy: -39.511
where: short stacking energy: -34.714
Base-Backbone interact. energy: 1.542
local terms energy: -42.030066
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -7.094
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -221.086771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.086771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.086771 (E_RNA)
where:
Base-Base interactions energy: -150.228
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.252
local terms energy: -70.607070
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -209.524363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.524363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.524363 (E_RNA)
where:
Base-Base interactions energy: -144.793
where: short stacking energy: -49.847
Base-Backbone interact. energy: -0.549
local terms energy: -64.182494
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -188.694876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.694876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.694876 (E_RNA)
where:
Base-Base interactions energy: -117.493
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.004
local terms energy: -71.197621
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -16.878
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: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -183.189159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.189159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.189159 (E_RNA)
where:
Base-Base interactions energy: -118.687
where: short stacking energy: -59.960
Base-Backbone interact. energy: -0.301
local terms energy: -64.201276
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -208.387862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.387862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.387862 (E_RNA)
where:
Base-Base interactions energy: -136.587
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.008
local terms energy: -71.792728
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -7.521
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: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -109.778450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.778450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.778450 (E_RNA)
where:
Base-Base interactions energy: -51.635
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.018
local terms energy: -58.126085
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -9.924
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -161.398057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.398057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.398057 (E_RNA)
where:
Base-Base interactions energy: -98.551
where: short stacking energy: -43.078
Base-Backbone interact. energy: -0.098
local terms energy: -62.749146
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -11.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -86.379254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.379254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.379254 (E_RNA)
where:
Base-Base interactions energy: -38.606
where: short stacking energy: -14.502
Base-Backbone interact. energy: -0.403
local terms energy: -47.370111
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -3.505
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -80.858627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.858627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.858627 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -21.486
Base-Backbone interact. energy: -0.118
local terms energy: -46.523004
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: 0.754
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: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -85.176282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.176282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.176282 (E_RNA)
where:
Base-Base interactions energy: -28.162
where: short stacking energy: -24.834
Base-Backbone interact. energy: 1.147
local terms energy: -58.161094
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -223.813994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.813994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.813994 (E_RNA)
where:
Base-Base interactions energy: -143.923
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.576
local terms energy: -79.315308
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -203.244836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.244836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.244836 (E_RNA)
where:
Base-Base interactions energy: -138.192
where: short stacking energy: -47.983
Base-Backbone interact. energy: -1.096
local terms energy: -63.957080
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -191.574136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.574136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.574136 (E_RNA)
where:
Base-Base interactions energy: -116.128
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.893
local terms energy: -74.553105
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -218.379120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.379120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.379120 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -57.737
Base-Backbone interact. energy: -0.043
local terms energy: -72.189669
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -11.567
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: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -175.655874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.655874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.655874 (E_RNA)
where:
Base-Base interactions energy: -113.007
where: short stacking energy: -45.098
Base-Backbone interact. energy: -0.209
local terms energy: -62.440508
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.881
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: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -157.669643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.669643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.669643 (E_RNA)
where:
Base-Base interactions energy: -96.531
where: short stacking energy: -45.289
Base-Backbone interact. energy: -0.103
local terms energy: -61.035906
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -111.943153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.943153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.943153 (E_RNA)
where:
Base-Base interactions energy: -52.495
where: short stacking energy: -36.805
Base-Backbone interact. energy: -0.126
local terms energy: -59.322033
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -80.666309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.666309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.666309 (E_RNA)
where:
Base-Base interactions energy: -26.117
where: short stacking energy: -26.117
Base-Backbone interact. energy: -0.269
local terms energy: -54.280098
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -83.988542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.988542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.988542 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -39.684
Base-Backbone interact. energy: -0.637
local terms energy: -38.532590
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -8.252
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -2.060
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -88.467341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.467341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.467341 (E_RNA)
where:
Base-Base interactions energy: -41.721
where: short stacking energy: -40.747
Base-Backbone interact. energy: -0.197
local terms energy: -46.549197
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -2.557
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -223.945851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.945851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.945851 (E_RNA)
where:
Base-Base interactions energy: -147.811
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.005
local terms energy: -76.129494
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -21.490
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: 26
Temperature: 0.950000
Total energy: -219.589676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.589676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.589676 (E_RNA)
where:
Base-Base interactions energy: -152.998
where: short stacking energy: -65.715
Base-Backbone interact. energy: -0.080
local terms energy: -66.511258
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -206.573465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.573465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.573465 (E_RNA)
where:
Base-Base interactions energy: -134.010
where: short stacking energy: -52.818
Base-Backbone interact. energy: -0.024
local terms energy: -72.538835
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -176.933068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.933068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.933068 (E_RNA)
where:
Base-Base interactions energy: -106.063
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.594
local terms energy: -70.275694
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -18.960
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: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -165.050833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.050833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.050833 (E_RNA)
where:
Base-Base interactions energy: -106.652
where: short stacking energy: -47.098
Base-Backbone interact. energy: -1.081
local terms energy: -57.317897
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -12.550
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: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -148.922213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.922213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.922213 (E_RNA)
where:
Base-Base interactions energy: -90.265
where: short stacking energy: -48.511
Base-Backbone interact. energy: -0.287
local terms energy: -58.369854
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -98.467329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.467329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.467329 (E_RNA)
where:
Base-Base interactions energy: -30.942
where: short stacking energy: -30.942
Base-Backbone interact. energy: -0.007
local terms energy: -67.518609
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -93.238483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.238483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.238483 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.151
local terms energy: -54.734728
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -9.333
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: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -86.599952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.599952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.599952 (E_RNA)
where:
Base-Base interactions energy: -36.804
where: short stacking energy: -36.374
Base-Backbone interact. energy: -0.143
local terms energy: -49.653057
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -80.754948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.754948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.754948 (E_RNA)
where:
Base-Base interactions energy: -30.899
where: short stacking energy: -13.786
Base-Backbone interact. energy: -0.266
local terms energy: -49.590230
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -229.627990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.627990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.627990 (E_RNA)
where:
Base-Base interactions energy: -156.236
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.701
local terms energy: -72.690308
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -7.350
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: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -223.914385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.914385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.914385 (E_RNA)
where:
Base-Base interactions energy: -145.875
where: short stacking energy: -73.588
Base-Backbone interact. energy: -0.695
local terms energy: -77.344763
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -212.656939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.656939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.656939 (E_RNA)
where:
Base-Base interactions energy: -137.821
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.137
local terms energy: -74.699363
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -12.153
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: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -203.318617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.318617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.318617 (E_RNA)
where:
Base-Base interactions energy: -135.707
where: short stacking energy: -53.332
Base-Backbone interact. energy: 0.094
local terms energy: -67.706022
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -175.201135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.201135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.201135 (E_RNA)
where:
Base-Base interactions energy: -108.653
where: short stacking energy: -52.960
Base-Backbone interact. energy: 0.321
local terms energy: -66.869383
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -16.396
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: 27
Temperature: 1.150000
Total energy: -93.640558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.640558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.640558 (E_RNA)
where:
Base-Base interactions energy: -36.959
where: short stacking energy: -35.761
Base-Backbone interact. energy: -0.105
local terms energy: -56.576364
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -87.711788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.711788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.711788 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -23.122
Base-Backbone interact. energy: -0.130
local terms energy: -47.216899
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -91.804911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.804911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.804911 (E_RNA)
where:
Base-Base interactions energy: -42.711
where: short stacking energy: -41.672
Base-Backbone interact. energy: -0.041
local terms energy: -49.052076
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -80.589571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.589571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.589571 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -21.515
Base-Backbone interact. energy: -0.467
local terms energy: -52.272187
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -1.719
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: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -77.456594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.456594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.456594 (E_RNA)
where:
Base-Base interactions energy: -23.554
where: short stacking energy: -22.522
Base-Backbone interact. energy: -0.206
local terms energy: -53.697105
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -216.536836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.536836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.536836 (E_RNA)
where:
Base-Base interactions energy: -139.804
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.002
local terms energy: -76.731213
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.475
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: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -225.802713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.802713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.802713 (E_RNA)
where:
Base-Base interactions energy: -145.111
where: short stacking energy: -64.703
Base-Backbone interact. energy: -0.661
local terms energy: -80.030618
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -207.915907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.915907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.915907 (E_RNA)
where:
Base-Base interactions energy: -139.455
where: short stacking energy: -54.614
Base-Backbone interact. energy: -1.143
local terms energy: -67.318023
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -215.975330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.975330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.975330 (E_RNA)
where:
Base-Base interactions energy: -137.156
where: short stacking energy: -60.223
Base-Backbone interact. energy: -1.812
local terms energy: -77.007040
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -158.518485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.518485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.518485 (E_RNA)
where:
Base-Base interactions energy: -93.583
where: short stacking energy: -49.439
Base-Backbone interact. energy: -0.408
local terms energy: -64.527102
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -110.981512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.981512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.981512 (E_RNA)
where:
Base-Base interactions energy: -48.057
where: short stacking energy: -48.057
Base-Backbone interact. energy: -0.017
local terms energy: -62.907325
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -96.566653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.566653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.566653 (E_RNA)
where:
Base-Base interactions energy: -37.608
where: short stacking energy: -30.110
Base-Backbone interact. energy: -0.072
local terms energy: -58.885778
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -95.604405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.604405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.604405 (E_RNA)
where:
Base-Base interactions energy: -40.924
where: short stacking energy: -16.770
Base-Backbone interact. energy: -0.323
local terms energy: -54.358177
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -76.615437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.615437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.615437 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -32.757
Base-Backbone interact. energy: 0.399
local terms energy: -36.831559
where:
bonds (distance) C4'-P energy: -5.268
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -4.635
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -81.265111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.265111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.265111 (E_RNA)
where:
Base-Base interactions energy: -29.918
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.346
local terms energy: -51.000946
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: 1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -227.390133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.390133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.390133 (E_RNA)
where:
Base-Base interactions energy: -145.547
where: short stacking energy: -70.958
Base-Backbone interact. energy: -0.002
local terms energy: -81.841818
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -20.022
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: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -210.881797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.881797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.881797 (E_RNA)
where:
Base-Base interactions energy: -144.108
where: short stacking energy: -59.135
Base-Backbone interact. energy: -0.697
local terms energy: -66.077312
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.302
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: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -215.013363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.013363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.013363 (E_RNA)
where:
Base-Base interactions energy: -140.998
where: short stacking energy: -55.478
Base-Backbone interact. energy: -1.566
local terms energy: -72.448745
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -15.916
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: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -213.528484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.528484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.528484 (E_RNA)
where:
Base-Base interactions energy: -142.714
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.090
local terms energy: -70.725199
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -174.995331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.995331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.995331 (E_RNA)
where:
Base-Base interactions energy: -111.280
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.905
local terms energy: -62.810458
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -90.226374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.226374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.226374 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -32.780
Base-Backbone interact. energy: -0.329
local terms energy: -55.159823
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -3.722
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: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -88.653079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.653079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.653079 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -31.256
Base-Backbone interact. energy: -0.157
local terms energy: -57.239627
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -88.187658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.187658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.187658 (E_RNA)
where:
Base-Base interactions energy: -37.780
where: short stacking energy: -36.404
Base-Backbone interact. energy: 0.121
local terms energy: -50.527888
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -79.800002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.800002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.800002 (E_RNA)
where:
Base-Base interactions energy: -32.119
where: short stacking energy: -22.713
Base-Backbone interact. energy: -1.791
local terms energy: -45.890668
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: 3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -81.408071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.408071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.408071 (E_RNA)
where:
Base-Base interactions energy: -24.502
where: short stacking energy: -23.416
Base-Backbone interact. energy: -0.078
local terms energy: -56.828049
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -223.200897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.200897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.200897 (E_RNA)
where:
Base-Base interactions energy: -146.031
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.480
local terms energy: -76.689623
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -216.707249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.707249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.707249 (E_RNA)
where:
Base-Base interactions energy: -136.123
where: short stacking energy: -72.831
Base-Backbone interact. energy: -0.353
local terms energy: -80.231690
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -22.020
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -210.918360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.918360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.918360 (E_RNA)
where:
Base-Base interactions energy: -136.589
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.018
local terms energy: -74.311419
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -8.752
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: 30
Temperature: 1.050000
Total energy: -201.934610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.934610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.934610 (E_RNA)
where:
Base-Base interactions energy: -126.045
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.195
local terms energy: -75.693872
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -15.955
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: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -163.786304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.786304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.786304 (E_RNA)
where:
Base-Base interactions energy: -98.395
where: short stacking energy: -38.737
Base-Backbone interact. energy: -1.317
local terms energy: -64.074307
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -114.993325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.993325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.993325 (E_RNA)
where:
Base-Base interactions energy: -56.843
where: short stacking energy: -48.902
Base-Backbone interact. energy: -0.093
local terms energy: -58.057723
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -87.066533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.066533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.066533 (E_RNA)
where:
Base-Base interactions energy: -34.416
where: short stacking energy: -28.942
Base-Backbone interact. energy: -0.426
local terms energy: -52.224157
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -83.853025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.853025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.853025 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -28.981
Base-Backbone interact. energy: -0.231
local terms energy: -48.160799
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: 1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -78.257935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.257935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.257935 (E_RNA)
where:
Base-Base interactions energy: -26.476
where: short stacking energy: -26.476
Base-Backbone interact. energy: -0.064
local terms energy: -51.718011
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -82.714582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.714582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.714582 (E_RNA)
where:
Base-Base interactions energy: -31.310
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.115
local terms energy: -51.290081
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -7.596
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: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -222.760845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.760845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.760845 (E_RNA)
where:
Base-Base interactions energy: -149.018
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.838
local terms energy: -72.905526
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -220.503516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.503516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.503516 (E_RNA)
where:
Base-Base interactions energy: -150.002
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.128
local terms energy: -70.374341
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -213.777437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.777437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.777437 (E_RNA)
where:
Base-Base interactions energy: -148.870
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.252
local terms energy: -64.655323
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -5.313
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: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -213.519052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.519052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.519052 (E_RNA)
where:
Base-Base interactions energy: -135.891
where: short stacking energy: -62.128
Base-Backbone interact. energy: -0.007
local terms energy: -77.621403
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -154.538296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.538296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.538296 (E_RNA)
where:
Base-Base interactions energy: -94.962
where: short stacking energy: -42.614
Base-Backbone interact. energy: -0.468
local terms energy: -59.107706
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -102.437450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.437450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.437450 (E_RNA)
where:
Base-Base interactions energy: -45.314
where: short stacking energy: -44.792
Base-Backbone interact. energy: -0.074
local terms energy: -57.048708
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -116.796606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.796606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.796606 (E_RNA)
where:
Base-Base interactions energy: -52.293
where: short stacking energy: -41.184
Base-Backbone interact. energy: -0.405
local terms energy: -64.098461
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -8.508
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: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -103.976344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.976344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.976344 (E_RNA)
where:
Base-Base interactions energy: -43.405
where: short stacking energy: -43.405
Base-Backbone interact. energy: -0.076
local terms energy: -60.496100
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -94.862349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.862349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.862349 (E_RNA)
where:
Base-Base interactions energy: -39.006
where: short stacking energy: -27.957
Base-Backbone interact. energy: -0.534
local terms energy: -55.322877
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -2.898
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: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -82.003842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.003842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.003842 (E_RNA)
where:
Base-Base interactions energy: -35.145
where: short stacking energy: -35.086
Base-Backbone interact. energy: -1.685
local terms energy: -45.174439
where:
bonds (distance) C4'-P energy: -5.305
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -212.947578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.947578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.947578 (E_RNA)
where:
Base-Base interactions energy: -145.848
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.733
local terms energy: -66.366725
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -215.706787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.706787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.706787 (E_RNA)
where:
Base-Base interactions energy: -150.921
where: short stacking energy: -51.843
Base-Backbone interact. energy: -0.755
local terms energy: -64.030754
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -217.644436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.644436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.644436 (E_RNA)
where:
Base-Base interactions energy: -149.933
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.020
local terms energy: -67.690475
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -189.608384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.608384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.608384 (E_RNA)
where:
Base-Base interactions energy: -120.895
where: short stacking energy: -49.335
Base-Backbone interact. energy: 0.987
local terms energy: -69.701108
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -146.285817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.285817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.285817 (E_RNA)
where:
Base-Base interactions energy: -86.589
where: short stacking energy: -39.601
Base-Backbone interact. energy: -0.191
local terms energy: -59.505145
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -6.992
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: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -92.829751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.829751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.829751 (E_RNA)
where:
Base-Base interactions energy: -37.130
where: short stacking energy: -36.908
Base-Backbone interact. energy: -0.101
local terms energy: -55.597862
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -85.709523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.709523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.709523 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.002
local terms energy: -53.193794
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -80.867316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.867316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.867316 (E_RNA)
where:
Base-Base interactions energy: -30.032
where: short stacking energy: -22.288
Base-Backbone interact. energy: 0.086
local terms energy: -50.921514
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -10.128
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: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -86.302445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.302445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.302445 (E_RNA)
where:
Base-Base interactions energy: -30.737
where: short stacking energy: -29.447
Base-Backbone interact. energy: -0.184
local terms energy: -55.381613
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -75.135294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.135294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.135294 (E_RNA)
where:
Base-Base interactions energy: -28.016
where: short stacking energy: -28.016
Base-Backbone interact. energy: 1.597
local terms energy: -48.716316
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -5.225
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: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -215.395679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.395679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.395679 (E_RNA)
where:
Base-Base interactions energy: -145.923
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.268
local terms energy: -69.204672
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -220.101911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.101911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.101911 (E_RNA)
where:
Base-Base interactions energy: -157.831
where: short stacking energy: -62.936
Base-Backbone interact. energy: -0.519
local terms energy: -61.752095
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -11.515
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: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -220.879719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.879719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.879719 (E_RNA)
where:
Base-Base interactions energy: -141.120
where: short stacking energy: -73.649
Base-Backbone interact. energy: -0.000
local terms energy: -79.759251
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -17.462
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: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -199.696371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.696371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.696371 (E_RNA)
where:
Base-Base interactions energy: -129.385
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.047
local terms energy: -70.263895
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -9.576
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: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -176.289246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.289246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.289246 (E_RNA)
where:
Base-Base interactions energy: -109.888
where: short stacking energy: -54.851
Base-Backbone interact. energy: -0.322
local terms energy: -66.079237
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -98.809461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.809461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.809461 (E_RNA)
where:
Base-Base interactions energy: -42.844
where: short stacking energy: -37.552
Base-Backbone interact. energy: -0.119
local terms energy: -55.845795
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -81.427298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.427298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.427298 (E_RNA)
where:
Base-Base interactions energy: -31.923
where: short stacking energy: -30.463
Base-Backbone interact. energy: 0.072
local terms energy: -49.576157
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -100.795523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.795523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.795523 (E_RNA)
where:
Base-Base interactions energy: -44.128
where: short stacking energy: -42.087
Base-Backbone interact. energy: -0.081
local terms energy: -56.586339
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -87.541404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.541404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.541404 (E_RNA)
where:
Base-Base interactions energy: -37.455
where: short stacking energy: -25.714
Base-Backbone interact. energy: -0.072
local terms energy: -50.013871
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -80.527532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.527532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.527532 (E_RNA)
where:
Base-Base interactions energy: -27.817
where: short stacking energy: -27.817
Base-Backbone interact. energy: -0.035
local terms energy: -52.674867
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -219.319834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.319834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.319834 (E_RNA)
where:
Base-Base interactions energy: -146.094
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.485
local terms energy: -72.740149
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -227.495058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.495058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.495058 (E_RNA)
where:
Base-Base interactions energy: -156.688
where: short stacking energy: -58.185
Base-Backbone interact. energy: 0.156
local terms energy: -70.963402
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -202.191436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.191436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.191436 (E_RNA)
where:
Base-Base interactions energy: -126.172
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.993
local terms energy: -75.025669
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -205.079800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.079800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.079800 (E_RNA)
where:
Base-Base interactions energy: -133.544
where: short stacking energy: -58.346
Base-Backbone interact. energy: -0.019
local terms energy: -71.516861
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -11.303
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: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -173.866731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.866731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.866731 (E_RNA)
where:
Base-Base interactions energy: -105.432
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.017
local terms energy: -68.417596
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -88.600274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.600274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.600274 (E_RNA)
where:
Base-Base interactions energy: -36.282
where: short stacking energy: -23.940
Base-Backbone interact. energy: -0.056
local terms energy: -52.263008
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -123.214961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.214961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.214961 (E_RNA)
where:
Base-Base interactions energy: -73.590
where: short stacking energy: -28.903
Base-Backbone interact. energy: -1.290
local terms energy: -48.334510
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -8.438
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: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -91.224784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.224784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.224784 (E_RNA)
where:
Base-Base interactions energy: -40.594
where: short stacking energy: -36.440
Base-Backbone interact. energy: 4.138
local terms energy: -54.769027
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -77.147942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.147942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.147942 (E_RNA)
where:
Base-Base interactions energy: -25.846
where: short stacking energy: -24.969
Base-Backbone interact. energy: -0.168
local terms energy: -51.134255
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -79.562826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.562826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.562826 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -31.724
Base-Backbone interact. energy: -0.095
local terms energy: -47.466385
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -5.822
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: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -214.609422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.609422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.609422 (E_RNA)
where:
Base-Base interactions energy: -145.809
where: short stacking energy: -64.193
Base-Backbone interact. energy: -0.030
local terms energy: -68.770202
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -222.219361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.219361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.219361 (E_RNA)
where:
Base-Base interactions energy: -147.984
where: short stacking energy: -53.763
Base-Backbone interact. energy: -0.047
local terms energy: -74.187616
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -9.487
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: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -206.586072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.586072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.586072 (E_RNA)
where:
Base-Base interactions energy: -131.769
where: short stacking energy: -63.097
Base-Backbone interact. energy: -0.041
local terms energy: -74.775489
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -12.668
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: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -204.902883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.902883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.902883 (E_RNA)
where:
Base-Base interactions energy: -134.153
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.128
local terms energy: -70.621408
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -165.342504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.342504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.342504 (E_RNA)
where:
Base-Base interactions energy: -100.961
where: short stacking energy: -47.637
Base-Backbone interact. energy: -0.226
local terms energy: -64.155795
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -120.917042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.917042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.917042 (E_RNA)
where:
Base-Base interactions energy: -61.163
where: short stacking energy: -35.179
Base-Backbone interact. energy: -0.516
local terms energy: -59.238489
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -1.069
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: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -88.577874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.577874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.577874 (E_RNA)
where:
Base-Base interactions energy: -34.962
where: short stacking energy: -32.080
Base-Backbone interact. energy: -0.105
local terms energy: -53.510604
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -2.299
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: 35
Temperature: 1.250000
Total energy: -82.417929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.417929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.417929 (E_RNA)
where:
Base-Base interactions energy: -34.764
where: short stacking energy: -34.518
Base-Backbone interact. energy: 0.554
local terms energy: -48.208240
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -78.893196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.893196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.893196 (E_RNA)
where:
Base-Base interactions energy: -36.850
where: short stacking energy: -26.551
Base-Backbone interact. energy: -0.121
local terms energy: -41.922375
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: 2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -78.700080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.700080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.700080 (E_RNA)
where:
Base-Base interactions energy: -27.368
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.786
local terms energy: -50.546489
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -221.685302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.685302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.685302 (E_RNA)
where:
Base-Base interactions energy: -152.453
where: short stacking energy: -56.273
Base-Backbone interact. energy: -0.480
local terms energy: -68.751703
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -205.653434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.653434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.653434 (E_RNA)
where:
Base-Base interactions energy: -138.537
where: short stacking energy: -58.593
Base-Backbone interact. energy: -0.079
local terms energy: -67.038146
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -204.520440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.520440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.520440 (E_RNA)
where:
Base-Base interactions energy: -138.162
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.166
local terms energy: -66.192457
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -9.134
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: 36
Temperature: 1.050000
Total energy: -197.831863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.831863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.831863 (E_RNA)
where:
Base-Base interactions energy: -131.104
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.016
local terms energy: -66.711240
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -163.705590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.705590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.705590 (E_RNA)
where:
Base-Base interactions energy: -97.403
where: short stacking energy: -47.607
Base-Backbone interact. energy: -0.015
local terms energy: -66.287691
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -118.744734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.744734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.744734 (E_RNA)
where:
Base-Base interactions energy: -69.416
where: short stacking energy: -41.740
Base-Backbone interact. energy: -0.426
local terms energy: -48.902755
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -2.083
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: 36
Temperature: 1.200000
Total energy: -99.175354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175354 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -32.849
Base-Backbone interact. energy: -0.718
local terms energy: -57.812930
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -109.496418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.496418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.496418 (E_RNA)
where:
Base-Base interactions energy: -59.106
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.056
local terms energy: -50.334327
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -5.789
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -84.512730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.512730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.512730 (E_RNA)
where:
Base-Base interactions energy: -38.850
where: short stacking energy: -14.457
Base-Backbone interact. energy: -0.509
local terms energy: -45.153568
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: 3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -79.750888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.750888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.750888 (E_RNA)
where:
Base-Base interactions energy: -46.244
where: short stacking energy: -39.829
Base-Backbone interact. energy: -0.122
local terms energy: -33.385145
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: 0.659
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -213.265885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.265885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.265885 (E_RNA)
where:
Base-Base interactions energy: -136.785
where: short stacking energy: -41.815
Base-Backbone interact. energy: -1.754
local terms energy: -74.726783
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -215.625550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.625550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.625550 (E_RNA)
where:
Base-Base interactions energy: -138.945
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.105
local terms energy: -76.575515
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.635
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: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -200.022820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.022820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.022820 (E_RNA)
where:
Base-Base interactions energy: -141.376
where: short stacking energy: -50.617
Base-Backbone interact. energy: 1.637
local terms energy: -60.284154
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -169.364051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.364051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.364051 (E_RNA)
where:
Base-Base interactions energy: -104.829
where: short stacking energy: -54.648
Base-Backbone interact. energy: -0.556
local terms energy: -63.978857
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -7.297
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -189.436301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.436301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.436301 (E_RNA)
where:
Base-Base interactions energy: -128.486
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.066
local terms energy: -60.884662
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -14.916
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: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -95.664981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.664981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.664981 (E_RNA)
where:
Base-Base interactions energy: -45.011
where: short stacking energy: -34.310
Base-Backbone interact. energy: -0.229
local terms energy: -50.425190
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -8.371
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: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -91.214272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.214272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.214272 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -34.869
Base-Backbone interact. energy: -0.040
local terms energy: -56.304660
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -88.898011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.898011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.898011 (E_RNA)
where:
Base-Base interactions energy: -42.406
where: short stacking energy: -18.791
Base-Backbone interact. energy: -1.101
local terms energy: -45.391471
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: 2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -82.568167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.568167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.568167 (E_RNA)
where:
Base-Base interactions energy: -32.337
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.213
local terms energy: -50.018295
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -81.372875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.372875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.372875 (E_RNA)
where:
Base-Base interactions energy: -23.970
where: short stacking energy: -23.970
Base-Backbone interact. energy: -0.178
local terms energy: -57.225214
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -8.365
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: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -223.465445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.465445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.465445 (E_RNA)
where:
Base-Base interactions energy: -149.950
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.001
local terms energy: -73.514154
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -212.275343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275343 (E_RNA)
where:
Base-Base interactions energy: -146.496
where: short stacking energy: -54.024
Base-Backbone interact. energy: -1.687
local terms energy: -64.091890
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -204.000819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.000819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.000819 (E_RNA)
where:
Base-Base interactions energy: -136.635
where: short stacking energy: -50.278
Base-Backbone interact. energy: -1.857
local terms energy: -65.508881
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -177.598481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.598481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.598481 (E_RNA)
where:
Base-Base interactions energy: -109.445
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.235
local terms energy: -67.918422
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -16.027
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: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -187.938516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.938516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.938516 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -54.515
Base-Backbone interact. energy: 0.052
local terms energy: -64.215045
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -96.729060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.729060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.729060 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.001
local terms energy: -61.661707
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -10.078
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: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -91.334049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334049 (E_RNA)
where:
Base-Base interactions energy: -39.018
where: short stacking energy: -36.256
Base-Backbone interact. energy: -0.550
local terms energy: -51.766478
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -87.951516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.951516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.951516 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.025
local terms energy: -59.540198
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -83.374573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.374573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.374573 (E_RNA)
where:
Base-Base interactions energy: -32.228
where: short stacking energy: -18.337
Base-Backbone interact. energy: -0.189
local terms energy: -50.957698
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: 2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -80.746324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.746324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.746324 (E_RNA)
where:
Base-Base interactions energy: -25.027
where: short stacking energy: -25.027
Base-Backbone interact. energy: -0.217
local terms energy: -55.501918
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -227.220639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.220639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.220639 (E_RNA)
where:
Base-Base interactions energy: -151.531
where: short stacking energy: -75.614
Base-Backbone interact. energy: -0.011
local terms energy: -75.678219
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -17.712
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: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -210.233245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.233245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.233245 (E_RNA)
where:
Base-Base interactions energy: -143.662
where: short stacking energy: -51.987
Base-Backbone interact. energy: -1.092
local terms energy: -65.479680
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -10.778
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: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -208.427181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.427181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.427181 (E_RNA)
where:
Base-Base interactions energy: -142.831
where: short stacking energy: -55.682
Base-Backbone interact. energy: -0.034
local terms energy: -65.562482
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -201.844337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.844337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.844337 (E_RNA)
where:
Base-Base interactions energy: -131.397
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.048
local terms energy: -70.398743
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -180.677810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.677810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.677810 (E_RNA)
where:
Base-Base interactions energy: -107.246
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.024
local terms energy: -73.407964
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -103.056404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.056404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.056404 (E_RNA)
where:
Base-Base interactions energy: -44.341
where: short stacking energy: -41.819
Base-Backbone interact. energy: 0.031
local terms energy: -58.745726
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -121.706616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.706616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.706616 (E_RNA)
where:
Base-Base interactions energy: -58.611
where: short stacking energy: -33.549
Base-Backbone interact. energy: -0.100
local terms energy: -62.995627
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -87.332515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.332515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.332515 (E_RNA)
where:
Base-Base interactions energy: -28.976
where: short stacking energy: -27.721
Base-Backbone interact. energy: -0.104
local terms energy: -58.253101
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -91.433294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.433294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.433294 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -27.782
Base-Backbone interact. energy: -1.183
local terms energy: -51.444896
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: 0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -79.535004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.535004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.535004 (E_RNA)
where:
Base-Base interactions energy: -23.972
where: short stacking energy: -23.972
Base-Backbone interact. energy: -0.112
local terms energy: -55.450774
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -224.836963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.836963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.836963 (E_RNA)
where:
Base-Base interactions energy: -147.490
where: short stacking energy: -74.060
Base-Backbone interact. energy: -0.013
local terms energy: -77.334659
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -11.011
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: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -211.805995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.805995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.805995 (E_RNA)
where:
Base-Base interactions energy: -142.360
where: short stacking energy: -51.504
Base-Backbone interact. energy: 0.050
local terms energy: -69.496488
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -206.449096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.449096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.449096 (E_RNA)
where:
Base-Base interactions energy: -142.472
where: short stacking energy: -56.468
Base-Backbone interact. energy: -0.224
local terms energy: -63.753429
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -201.339385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.339385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.339385 (E_RNA)
where:
Base-Base interactions energy: -130.725
where: short stacking energy: -60.389
Base-Backbone interact. energy: -0.018
local terms energy: -70.596661
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -17.261
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: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -187.263385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.263385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.263385 (E_RNA)
where:
Base-Base interactions energy: -113.900
where: short stacking energy: -58.345
Base-Backbone interact. energy: -0.524
local terms energy: -72.839222
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -109.392118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.392118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.392118 (E_RNA)
where:
Base-Base interactions energy: -59.277
where: short stacking energy: -31.204
Base-Backbone interact. energy: -0.487
local terms energy: -49.628302
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -126.131916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.131916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.131916 (E_RNA)
where:
Base-Base interactions energy: -72.848
where: short stacking energy: -42.621
Base-Backbone interact. energy: 0.154
local terms energy: -53.438189
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -8.375
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: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -103.916255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.916255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.916255 (E_RNA)
where:
Base-Base interactions energy: -52.074
where: short stacking energy: -42.949
Base-Backbone interact. energy: -0.399
local terms energy: -51.443641
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -10.437
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: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -94.148882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.148882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.148882 (E_RNA)
where:
Base-Base interactions energy: -48.699
where: short stacking energy: -38.371
Base-Backbone interact. energy: -0.029
local terms energy: -45.421370
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -81.074804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.074804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.074804 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -21.641
Base-Backbone interact. energy: -0.007
local terms energy: -48.557638
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: 1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -220.488046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.488046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.488046 (E_RNA)
where:
Base-Base interactions energy: -149.696
where: short stacking energy: -66.110
Base-Backbone interact. energy: -0.075
local terms energy: -70.717500
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -17.620
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: 41
Temperature: 0.950000
Total energy: -215.405073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.405073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.405073 (E_RNA)
where:
Base-Base interactions energy: -147.678
where: short stacking energy: -58.951
Base-Backbone interact. energy: 0.681
local terms energy: -68.408498
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -205.297569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.297569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.297569 (E_RNA)
where:
Base-Base interactions energy: -140.100
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.207
local terms energy: -64.990494
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -9.732
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: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -193.632821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.632821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.632821 (E_RNA)
where:
Base-Base interactions energy: -123.286
where: short stacking energy: -63.854
Base-Backbone interact. energy: -0.587
local terms energy: -69.759201
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -9.758
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: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -168.903316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.903316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.903316 (E_RNA)
where:
Base-Base interactions energy: -98.470
where: short stacking energy: -54.276
Base-Backbone interact. energy: -0.349
local terms energy: -70.084713
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -149.559116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.559116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.559116 (E_RNA)
where:
Base-Base interactions energy: -94.545
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.307
local terms energy: -54.706708
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -101.353129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.353129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.353129 (E_RNA)
where:
Base-Base interactions energy: -43.056
where: short stacking energy: -43.056
Base-Backbone interact. energy: -0.058
local terms energy: -58.239436
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -86.681167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.681167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.681167 (E_RNA)
where:
Base-Base interactions energy: -37.851
where: short stacking energy: -23.538
Base-Backbone interact. energy: -0.295
local terms energy: -48.535179
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: 2.155
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: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -88.475170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.475170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.475170 (E_RNA)
where:
Base-Base interactions energy: -31.507
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.085
local terms energy: -56.883255
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -3.428
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: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -80.612899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.612899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.612899 (E_RNA)
where:
Base-Base interactions energy: -40.287
where: short stacking energy: -30.829
Base-Backbone interact. energy: -0.113
local terms energy: -40.212663
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -219.890386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.890386 (E_RNA)
where:
Base-Base interactions energy: -152.035
where: short stacking energy: -72.201
Base-Backbone interact. energy: 0.311
local terms energy: -68.166559
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -8.767
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: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -218.663021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.663021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.663021 (E_RNA)
where:
Base-Base interactions energy: -142.914
where: short stacking energy: -57.322
Base-Backbone interact. energy: -0.327
local terms energy: -75.421523
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -205.191485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.191485 (E_RNA)
where:
Base-Base interactions energy: -141.120
where: short stacking energy: -48.113
Base-Backbone interact. energy: -0.131
local terms energy: -63.939996
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -203.868605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.868605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.868605 (E_RNA)
where:
Base-Base interactions energy: -134.225
where: short stacking energy: -67.097
Base-Backbone interact. energy: -0.250
local terms energy: -69.392906
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -162.083968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.083968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.083968 (E_RNA)
where:
Base-Base interactions energy: -99.471
where: short stacking energy: -39.016
Base-Backbone interact. energy: -0.186
local terms energy: -62.427617
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -4.949
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: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -153.382801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.382801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.382801 (E_RNA)
where:
Base-Base interactions energy: -93.562
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.086
local terms energy: -59.735101
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -10.102
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: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -114.554928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.554928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.554928 (E_RNA)
where:
Base-Base interactions energy: -60.082
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.063
local terms energy: -54.409253
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -92.879102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.879102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.879102 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.063
local terms energy: -53.945120
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -6.893
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: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -86.494974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.494974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.494974 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.078
local terms energy: -50.105610
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -2.618
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: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -99.094271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.094271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.094271 (E_RNA)
where:
Base-Base interactions energy: -56.510
where: short stacking energy: -24.295
Base-Backbone interact. energy: -0.323
local terms energy: -42.260894
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -0.191
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: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -224.794699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.794699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.794699 (E_RNA)
where:
Base-Base interactions energy: -149.114
where: short stacking energy: -66.962
Base-Backbone interact. energy: -0.132
local terms energy: -75.548646
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -227.704817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.704817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.704817 (E_RNA)
where:
Base-Base interactions energy: -153.960
where: short stacking energy: -60.983
Base-Backbone interact. energy: -0.199
local terms energy: -73.545016
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -16.406
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: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -204.939220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.939220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.939220 (E_RNA)
where:
Base-Base interactions energy: -141.957
where: short stacking energy: -43.470
Base-Backbone interact. energy: -1.166
local terms energy: -61.817072
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -8.958
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: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -177.530729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.530729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.530729 (E_RNA)
where:
Base-Base interactions energy: -111.727
where: short stacking energy: -41.344
Base-Backbone interact. energy: 0.038
local terms energy: -65.841747
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -187.835096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.835096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.835096 (E_RNA)
where:
Base-Base interactions energy: -122.628
where: short stacking energy: -54.966
Base-Backbone interact. energy: -0.070
local terms energy: -65.137122
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -164.406346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.406346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.406346 (E_RNA)
where:
Base-Base interactions energy: -102.240
where: short stacking energy: -46.827
Base-Backbone interact. energy: 0.738
local terms energy: -62.905247
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -9.803
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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -135.329808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.329808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.329808 (E_RNA)
where:
Base-Base interactions energy: -74.644
where: short stacking energy: -44.557
Base-Backbone interact. energy: -0.011
local terms energy: -60.674861
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -10.955
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: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -81.246811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.246811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.246811 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -19.536
Base-Backbone interact. energy: 0.833
local terms energy: -48.003647
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -87.792380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.792380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.792380 (E_RNA)
where:
Base-Base interactions energy: -38.066
where: short stacking energy: -21.888
Base-Backbone interact. energy: -0.131
local terms energy: -49.595475
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -7.509
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: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -77.705950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.705950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.705950 (E_RNA)
where:
Base-Base interactions energy: -24.236
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.175
local terms energy: -53.294870
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -213.949500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.949500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.949500 (E_RNA)
where:
Base-Base interactions energy: -144.606
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.121
local terms energy: -69.222526
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -217.908866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.908866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.908866 (E_RNA)
where:
Base-Base interactions energy: -139.978
where: short stacking energy: -69.712
Base-Backbone interact. energy: -0.001
local terms energy: -77.929675
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -20.819
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: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -195.423195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.423195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.423195 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -59.367
Base-Backbone interact. energy: -0.451
local terms energy: -67.377037
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -165.975226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.975226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.975226 (E_RNA)
where:
Base-Base interactions energy: -103.893
where: short stacking energy: -46.638
Base-Backbone interact. energy: -0.135
local terms energy: -61.947343
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -13.560
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: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -169.932070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.932070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.932070 (E_RNA)
where:
Base-Base interactions energy: -105.015
where: short stacking energy: -55.605
Base-Backbone interact. energy: -0.211
local terms energy: -64.705854
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -136.151966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.151966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.151966 (E_RNA)
where:
Base-Base interactions energy: -78.770
where: short stacking energy: -39.890
Base-Backbone interact. energy: -1.548
local terms energy: -55.834012
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -100.824171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.824171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.824171 (E_RNA)
where:
Base-Base interactions energy: -42.079
where: short stacking energy: -39.909
Base-Backbone interact. energy: -0.374
local terms energy: -58.370982
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -84.997181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.997181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.997181 (E_RNA)
where:
Base-Base interactions energy: -33.372
where: short stacking energy: -23.388
Base-Backbone interact. energy: -0.215
local terms energy: -51.410062
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -80.352328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.352328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.352328 (E_RNA)
where:
Base-Base interactions energy: -26.039
where: short stacking energy: -25.805
Base-Backbone interact. energy: -0.379
local terms energy: -53.934454
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -77.147439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.147439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.147439 (E_RNA)
where:
Base-Base interactions energy: -22.971
where: short stacking energy: -21.165
Base-Backbone interact. energy: 0.479
local terms energy: -54.654587
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -225.225306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.225306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.225306 (E_RNA)
where:
Base-Base interactions energy: -143.626
where: short stacking energy: -74.267
Base-Backbone interact. energy: -0.000
local terms energy: -81.599429
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -22.187
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: 45
Temperature: 0.950000
Total energy: -212.614060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.614060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.614060 (E_RNA)
where:
Base-Base interactions energy: -144.953
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.912
local terms energy: -66.748734
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -9.269
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: 45
Temperature: 1.000000
Total energy: -213.659891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.659891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.659891 (E_RNA)
where:
Base-Base interactions energy: -136.247
where: short stacking energy: -61.752
Base-Backbone interact. energy: -0.520
local terms energy: -76.893805
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -175.905471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.905471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.905471 (E_RNA)
where:
Base-Base interactions energy: -122.421
where: short stacking energy: -50.548
Base-Backbone interact. energy: -0.088
local terms energy: -53.397099
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -11.377
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: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -171.440692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.440692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.440692 (E_RNA)
where:
Base-Base interactions energy: -104.685
where: short stacking energy: -58.474
Base-Backbone interact. energy: -0.470
local terms energy: -66.286385
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -145.226326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.226326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.226326 (E_RNA)
where:
Base-Base interactions energy: -91.845
where: short stacking energy: -42.354
Base-Backbone interact. energy: -0.243
local terms energy: -53.138915
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -6.083
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: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -105.613208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.613208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.613208 (E_RNA)
where:
Base-Base interactions energy: -46.202
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.008
local terms energy: -59.402795
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -83.920205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.920205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.920205 (E_RNA)
where:
Base-Base interactions energy: -33.684
where: short stacking energy: -33.684
Base-Backbone interact. energy: -0.013
local terms energy: -50.223587
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -4.490
tors. eta vs tors. theta energy: -6.366
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: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -83.104018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.104018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.104018 (E_RNA)
where:
Base-Base interactions energy: -36.295
where: short stacking energy: -28.035
Base-Backbone interact. energy: -0.008
local terms energy: -46.801180
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -6.371
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -9.573
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: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -84.806516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.806516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.806516 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -37.113
Base-Backbone interact. energy: -0.025
local terms energy: -46.077978
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -223.791304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.791304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.791304 (E_RNA)
where:
Base-Base interactions energy: -142.058
where: short stacking energy: -72.776
Base-Backbone interact. energy: -1.223
local terms energy: -80.510224
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -215.930920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.930920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.930920 (E_RNA)
where:
Base-Base interactions energy: -147.385
where: short stacking energy: -61.194
Base-Backbone interact. energy: -0.019
local terms energy: -68.526858
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -219.033730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.033730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.033730 (E_RNA)
where:
Base-Base interactions energy: -144.734
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.718
local terms energy: -73.581369
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -22.267
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: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -185.963774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.963774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.963774 (E_RNA)
where:
Base-Base interactions energy: -117.481
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.068
local terms energy: -68.415053
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -165.369096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.369096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.369096 (E_RNA)
where:
Base-Base interactions energy: -106.981
where: short stacking energy: -53.028
Base-Backbone interact. energy: 1.535
local terms energy: -59.922430
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -12.051
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -151.906462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.906462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.906462 (E_RNA)
where:
Base-Base interactions energy: -94.560
where: short stacking energy: -41.996
Base-Backbone interact. energy: -0.424
local terms energy: -56.921909
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -102.799145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.799145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.799145 (E_RNA)
where:
Base-Base interactions energy: -44.041
where: short stacking energy: -25.623
Base-Backbone interact. energy: -0.634
local terms energy: -58.124686
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -84.509531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.509531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.509531 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -32.254
Base-Backbone interact. energy: -0.187
local terms energy: -45.154949
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -78.604313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.604313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.604313 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -23.212
Base-Backbone interact. energy: -0.978
local terms energy: -47.275762
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -5.012
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: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -74.292293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.292293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.292293 (E_RNA)
where:
Base-Base interactions energy: -26.298
where: short stacking energy: -22.723
Base-Backbone interact. energy: -2.067
local terms energy: -45.927116
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -5.037
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: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -226.252579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.252579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.252579 (E_RNA)
where:
Base-Base interactions energy: -146.211
where: short stacking energy: -70.312
Base-Backbone interact. energy: -1.084
local terms energy: -78.957472
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -21.466
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: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -219.266108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.266108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.266108 (E_RNA)
where:
Base-Base interactions energy: -143.630
where: short stacking energy: -67.694
Base-Backbone interact. energy: -0.227
local terms energy: -75.408736
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.616
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: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -213.648568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.648568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.648568 (E_RNA)
where:
Base-Base interactions energy: -146.676
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.113
local terms energy: -66.859897
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -175.980051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.980051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.980051 (E_RNA)
where:
Base-Base interactions energy: -108.755
where: short stacking energy: -54.381
Base-Backbone interact. energy: -0.193
local terms energy: -67.032965
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -173.910750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.910750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.910750 (E_RNA)
where:
Base-Base interactions energy: -101.358
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.135
local terms energy: -72.417641
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -127.053955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.053955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.053955 (E_RNA)
where:
Base-Base interactions energy: -75.621
where: short stacking energy: -33.418
Base-Backbone interact. energy: -0.068
local terms energy: -51.364569
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -87.454045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.454045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.454045 (E_RNA)
where:
Base-Base interactions energy: -33.034
where: short stacking energy: -33.834
Base-Backbone interact. energy: -0.004
local terms energy: -54.415419
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -107.931580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.931580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.931580 (E_RNA)
where:
Base-Base interactions energy: -53.216
where: short stacking energy: -22.719
Base-Backbone interact. energy: -0.362
local terms energy: -54.353805
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.057
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: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -82.730424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.730424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.730424 (E_RNA)
where:
Base-Base interactions energy: -29.889
where: short stacking energy: -29.889
Base-Backbone interact. energy: -0.212
local terms energy: -52.629580
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -5.321
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: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -81.487914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.487914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.487914 (E_RNA)
where:
Base-Base interactions energy: -37.058
where: short stacking energy: -37.058
Base-Backbone interact. energy: -0.107
local terms energy: -44.323221
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -7.401
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: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -228.685049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.685049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.685049 (E_RNA)
where:
Base-Base interactions energy: -150.269
where: short stacking energy: -75.972
Base-Backbone interact. energy: -0.029
local terms energy: -78.387487
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -218.643805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.643805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.643805 (E_RNA)
where:
Base-Base interactions energy: -141.742
where: short stacking energy: -65.280
Base-Backbone interact. energy: -0.025
local terms energy: -76.876749
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -218.287098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.287098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.287098 (E_RNA)
where:
Base-Base interactions energy: -142.633
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.544
local terms energy: -75.110411
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -178.258744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.258744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.258744 (E_RNA)
where:
Base-Base interactions energy: -111.683
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.002
local terms energy: -66.573771
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -157.224777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.224777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.224777 (E_RNA)
where:
Base-Base interactions energy: -95.279
where: short stacking energy: -48.000
Base-Backbone interact. energy: -0.538
local terms energy: -61.407693
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -10.584
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: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -114.604149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.604149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.604149 (E_RNA)
where:
Base-Base interactions energy: -56.767
where: short stacking energy: -40.748
Base-Backbone interact. energy: -1.068
local terms energy: -56.769092
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -11.570
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: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -149.294832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.294832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.294832 (E_RNA)
where:
Base-Base interactions energy: -93.037
where: short stacking energy: -42.958
Base-Backbone interact. energy: 0.208
local terms energy: -56.465874
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -9.587
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: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -102.854370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.854370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.854370 (E_RNA)
where:
Base-Base interactions energy: -44.667
where: short stacking energy: -32.317
Base-Backbone interact. energy: -0.236
local terms energy: -57.951119
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -85.114245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.114245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.114245 (E_RNA)
where:
Base-Base interactions energy: -31.523
where: short stacking energy: -31.523
Base-Backbone interact. energy: 0.468
local terms energy: -54.060001
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -80.862810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.862810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.862810 (E_RNA)
where:
Base-Base interactions energy: -30.912
where: short stacking energy: -17.311
Base-Backbone interact. energy: -0.008
local terms energy: -49.942327
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -223.961150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.961150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.961150 (E_RNA)
where:
Base-Base interactions energy: -148.148
where: short stacking energy: -70.772
Base-Backbone interact. energy: -1.187
local terms energy: -74.626453
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -219.058225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.058225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.058225 (E_RNA)
where:
Base-Base interactions energy: -147.941
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.095
local terms energy: -71.022344
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -211.186953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.186953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.186953 (E_RNA)
where:
Base-Base interactions energy: -144.454
where: short stacking energy: -54.805
Base-Backbone interact. energy: -0.119
local terms energy: -66.613960
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -179.835799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.835799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.835799 (E_RNA)
where:
Base-Base interactions energy: -112.457
where: short stacking energy: -65.469
Base-Backbone interact. energy: -0.000
local terms energy: -67.378178
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -177.528081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.528081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.528081 (E_RNA)
where:
Base-Base interactions energy: -110.669
where: short stacking energy: -70.310
Base-Backbone interact. energy: -0.214
local terms energy: -66.644544
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -139.519546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.519546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.519546 (E_RNA)
where:
Base-Base interactions energy: -82.629
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.104
local terms energy: -56.786852
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -98.981707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.981707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.981707 (E_RNA)
where:
Base-Base interactions energy: -52.411
where: short stacking energy: -38.416
Base-Backbone interact. energy: -0.120
local terms energy: -46.450049
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -2.566
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -97.172777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.172777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.172777 (E_RNA)
where:
Base-Base interactions energy: -45.051
where: short stacking energy: -31.682
Base-Backbone interact. energy: 0.886
local terms energy: -53.007412
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -97.464789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.464789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.464789 (E_RNA)
where:
Base-Base interactions energy: -48.230
where: short stacking energy: -30.624
Base-Backbone interact. energy: 0.755
local terms energy: -49.989405
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -7.192
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: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -82.296074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.296074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.296074 (E_RNA)
where:
Base-Base interactions energy: -28.884
where: short stacking energy: -23.122
Base-Backbone interact. energy: -0.093
local terms energy: -53.319144
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -225.996806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.996806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.996806 (E_RNA)
where:
Base-Base interactions energy: -152.823
where: short stacking energy: -75.868
Base-Backbone interact. energy: -0.006
local terms energy: -73.168058
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -10.566
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -216.820154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.820154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.820154 (E_RNA)
where:
Base-Base interactions energy: -151.503
where: short stacking energy: -65.137
Base-Backbone interact. energy: -0.104
local terms energy: -65.212708
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -7.366
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: 50
Temperature: 1.000000
Total energy: -207.331349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.331349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.331349 (E_RNA)
where:
Base-Base interactions energy: -144.835
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.031
local terms energy: -62.465192
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -169.097663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.097663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.097663 (E_RNA)
where:
Base-Base interactions energy: -103.275
where: short stacking energy: -52.362
Base-Backbone interact. energy: 1.736
local terms energy: -67.558097
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -160.333407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.333407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.333407 (E_RNA)
where:
Base-Base interactions energy: -92.826
where: short stacking energy: -46.105
Base-Backbone interact. energy: -0.024
local terms energy: -67.482889
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -143.427745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.427745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.427745 (E_RNA)
where:
Base-Base interactions energy: -86.847
where: short stacking energy: -48.024
Base-Backbone interact. energy: -0.132
local terms energy: -56.449394
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -14.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -94.457299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.457299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.457299 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -31.844
Base-Backbone interact. energy: -0.067
local terms energy: -60.380966
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -89.813600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813600 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.206
local terms energy: -49.106949
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -87.256355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.256355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.256355 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -32.144
Base-Backbone interact. energy: -0.015
local terms energy: -50.325722
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -7.802
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: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -81.891190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.891190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.891190 (E_RNA)
where:
Base-Base interactions energy: -28.898
where: short stacking energy: -27.447
Base-Backbone interact. energy: 0.636
local terms energy: -53.629442
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -8.105
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: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -226.896759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.896759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.896759 (E_RNA)
where:
Base-Base interactions energy: -141.777
where: short stacking energy: -61.148
Base-Backbone interact. energy: -0.461
local terms energy: -84.659312
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -214.512518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.512518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.512518 (E_RNA)
where:
Base-Base interactions energy: -143.344
where: short stacking energy: -61.858
Base-Backbone interact. energy: -0.101
local terms energy: -71.066808
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -11.495
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: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -206.825205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.825205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.825205 (E_RNA)
where:
Base-Base interactions energy: -140.629
where: short stacking energy: -45.636
Base-Backbone interact. energy: -0.381
local terms energy: -65.815644
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -167.879575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.879575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.879575 (E_RNA)
where:
Base-Base interactions energy: -98.261
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.781
local terms energy: -68.837301
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -174.648993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.648993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.648993 (E_RNA)
where:
Base-Base interactions energy: -107.789
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.036
local terms energy: -66.824617
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -154.400070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.400070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.400070 (E_RNA)
where:
Base-Base interactions energy: -91.225
where: short stacking energy: -48.463
Base-Backbone interact. energy: -1.452
local terms energy: -61.722244
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -93.724251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.724251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.724251 (E_RNA)
where:
Base-Base interactions energy: -44.620
where: short stacking energy: -20.942
Base-Backbone interact. energy: 0.557
local terms energy: -49.661610
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.218
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: 51
Temperature: 1.250000
Total energy: -80.443119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.443119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.443119 (E_RNA)
where:
Base-Base interactions energy: -36.233
where: short stacking energy: -30.628
Base-Backbone interact. energy: -0.576
local terms energy: -43.634268
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -84.657664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.657664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.657664 (E_RNA)
where:
Base-Base interactions energy: -33.248
where: short stacking energy: -31.543
Base-Backbone interact. energy: 0.349
local terms energy: -51.758259
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -82.771339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.771339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.771339 (E_RNA)
where:
Base-Base interactions energy: -27.608
where: short stacking energy: -23.496
Base-Backbone interact. energy: 0.718
local terms energy: -55.882080
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -10.415
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: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -224.867629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.867629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.867629 (E_RNA)
where:
Base-Base interactions energy: -141.155
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.102
local terms energy: -83.610229
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -211.872619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.872619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.872619 (E_RNA)
where:
Base-Base interactions energy: -140.649
where: short stacking energy: -65.521
Base-Backbone interact. energy: -0.144
local terms energy: -71.079531
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -202.896848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.896848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.896848 (E_RNA)
where:
Base-Base interactions energy: -135.939
where: short stacking energy: -47.570
Base-Backbone interact. energy: -1.548
local terms energy: -65.410268
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -11.277
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: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -176.554625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.554625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.554625 (E_RNA)
where:
Base-Base interactions energy: -108.406
where: short stacking energy: -57.315
Base-Backbone interact. energy: -0.118
local terms energy: -68.029692
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -172.806732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.806732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.806732 (E_RNA)
where:
Base-Base interactions energy: -117.782
where: short stacking energy: -49.524
Base-Backbone interact. energy: -0.163
local terms energy: -54.862471
where:
bonds (distance) C4'-P energy: -7.557
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -163.544730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.544730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.544730 (E_RNA)
where:
Base-Base interactions energy: -106.495
where: short stacking energy: -43.150
Base-Backbone interact. energy: -0.286
local terms energy: -56.763683
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -127.825478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.825478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.825478 (E_RNA)
where:
Base-Base interactions energy: -65.816
where: short stacking energy: -41.376
Base-Backbone interact. energy: -0.115
local terms energy: -61.894646
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -97.603264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.603264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.603264 (E_RNA)
where:
Base-Base interactions energy: -44.781
where: short stacking energy: -27.442
Base-Backbone interact. energy: -1.200
local terms energy: -51.621934
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -81.020545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.020545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.020545 (E_RNA)
where:
Base-Base interactions energy: -30.144
where: short stacking energy: -30.144
Base-Backbone interact. energy: -0.004
local terms energy: -50.872639
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -77.726240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.726240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.726240 (E_RNA)
where:
Base-Base interactions energy: -27.220
where: short stacking energy: -27.220
Base-Backbone interact. energy: -1.379
local terms energy: -49.127234
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -224.130352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.130352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.130352 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -64.945
Base-Backbone interact. energy: -1.213
local terms energy: -75.350487
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -19.026
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: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -219.065273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.065273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.065273 (E_RNA)
where:
Base-Base interactions energy: -157.837
where: short stacking energy: -52.332
Base-Backbone interact. energy: -0.336
local terms energy: -60.891710
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -201.294893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.294893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.294893 (E_RNA)
where:
Base-Base interactions energy: -136.317
where: short stacking energy: -53.614
Base-Backbone interact. energy: -0.843
local terms energy: -64.134161
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -171.068050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.068050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.068050 (E_RNA)
where:
Base-Base interactions energy: -110.154
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.099
local terms energy: -60.815835
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -141.701638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.701638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.701638 (E_RNA)
where:
Base-Base interactions energy: -86.225
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.228
local terms energy: -55.248527
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -118.328980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.328980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.328980 (E_RNA)
where:
Base-Base interactions energy: -62.943
where: short stacking energy: -40.359
Base-Backbone interact. energy: -0.106
local terms energy: -55.279583
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -154.976596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.976596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.976596 (E_RNA)
where:
Base-Base interactions energy: -89.269
where: short stacking energy: -48.410
Base-Backbone interact. energy: -0.374
local terms energy: -65.334056
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -87.726068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.726068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.726068 (E_RNA)
where:
Base-Base interactions energy: -26.528
where: short stacking energy: -23.762
Base-Backbone interact. energy: -0.115
local terms energy: -61.083154
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -8.668
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: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -101.801144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.801144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.801144 (E_RNA)
where:
Base-Base interactions energy: -47.458
where: short stacking energy: -46.153
Base-Backbone interact. energy: -0.237
local terms energy: -54.106198
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -86.571119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.571119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.571119 (E_RNA)
where:
Base-Base interactions energy: -40.579
where: short stacking energy: -39.839
Base-Backbone interact. energy: -0.044
local terms energy: -45.948829
where:
bonds (distance) C4'-P energy: -3.543
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -227.228507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.228507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.228507 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -68.432
Base-Backbone interact. energy: -1.595
local terms energy: -81.961969
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -19.340
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: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -210.897270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.897270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.897270 (E_RNA)
where:
Base-Base interactions energy: -138.856
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.022
local terms energy: -72.019582
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -183.966317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.966317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.966317 (E_RNA)
where:
Base-Base interactions energy: -121.834
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.234
local terms energy: -61.898420
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -210.049646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.049646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049646 (E_RNA)
where:
Base-Base interactions energy: -143.986
where: short stacking energy: -50.724
Base-Backbone interact. energy: -0.823
local terms energy: -65.240407
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -129.659613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.659613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.659613 (E_RNA)
where:
Base-Base interactions energy: -65.633
where: short stacking energy: -44.861
Base-Backbone interact. energy: -0.020
local terms energy: -64.006759
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -168.591537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.591537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.591537 (E_RNA)
where:
Base-Base interactions energy: -109.284
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.153
local terms energy: -59.154662
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -149.788190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.788190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.788190 (E_RNA)
where:
Base-Base interactions energy: -90.740
where: short stacking energy: -53.374
Base-Backbone interact. energy: -0.039
local terms energy: -59.009180
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -3.118
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -88.340305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.340305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.340305 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.318
local terms energy: -51.013916
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -84.840512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.840512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.840512 (E_RNA)
where:
Base-Base interactions energy: -35.255
where: short stacking energy: -27.667
Base-Backbone interact. energy: -0.437
local terms energy: -49.148227
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -0.388
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -75.521155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.521155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.521155 (E_RNA)
where:
Base-Base interactions energy: -26.132
where: short stacking energy: -25.747
Base-Backbone interact. energy: -0.007
local terms energy: -49.381319
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -220.541235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.541235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.541235 (E_RNA)
where:
Base-Base interactions energy: -148.528
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.206
local terms energy: -71.806689
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -231.793058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.793058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.793058 (E_RNA)
where:
Base-Base interactions energy: -150.946
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.524
local terms energy: -80.323753
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -182.792131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.792131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.792131 (E_RNA)
where:
Base-Base interactions energy: -112.410
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.655
local terms energy: -69.726828
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -203.587892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.587892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.587892 (E_RNA)
where:
Base-Base interactions energy: -135.309
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.257
local terms energy: -68.021380
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -13.129
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: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -142.555548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.555548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.555548 (E_RNA)
where:
Base-Base interactions energy: -86.453
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.239
local terms energy: -55.863550
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -6.439
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: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -146.384358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.384358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.384358 (E_RNA)
where:
Base-Base interactions energy: -82.688
where: short stacking energy: -48.184
Base-Backbone interact. energy: -0.152
local terms energy: -63.544307
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -154.450146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.450146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.450146 (E_RNA)
where:
Base-Base interactions energy: -100.127
where: short stacking energy: -34.627
Base-Backbone interact. energy: -0.449
local terms energy: -53.874614
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -84.033683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.033683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.033683 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.369
local terms energy: -38.567087
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -7.894
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -3.393
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: 55
Temperature: 1.300000
Total energy: -83.894803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.894803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.894803 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -28.131
Base-Backbone interact. energy: -0.269
local terms energy: -51.869749
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -84.396641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.396641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.396641 (E_RNA)
where:
Base-Base interactions energy: -29.321
where: short stacking energy: -25.704
Base-Backbone interact. energy: -0.314
local terms energy: -54.761704
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -7.088
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -8.773
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: 56
Temperature: 0.900000
Total energy: -228.277545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.277545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.277545 (E_RNA)
where:
Base-Base interactions energy: -146.008
where: short stacking energy: -69.630
Base-Backbone interact. energy: -1.008
local terms energy: -81.261952
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -223.975424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.975424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.975424 (E_RNA)
where:
Base-Base interactions energy: -158.667
where: short stacking energy: -56.489
Base-Backbone interact. energy: 1.075
local terms energy: -66.383379
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -14.537
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: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -204.061418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.061418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.061418 (E_RNA)
where:
Base-Base interactions energy: -139.994
where: short stacking energy: -51.171
Base-Backbone interact. energy: 1.255
local terms energy: -65.323061
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -172.995390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.995390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.995390 (E_RNA)
where:
Base-Base interactions energy: -100.477
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.056
local terms energy: -72.462269
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -168.270630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.270630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.270630 (E_RNA)
where:
Base-Base interactions energy: -102.237
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.022
local terms energy: -66.012000
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -10.613
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: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -129.642179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.642179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.642179 (E_RNA)
where:
Base-Base interactions energy: -70.644
where: short stacking energy: -38.341
Base-Backbone interact. energy: 2.208
local terms energy: -61.206233
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.173
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: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -123.503948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.503948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.503948 (E_RNA)
where:
Base-Base interactions energy: -66.593
where: short stacking energy: -36.453
Base-Backbone interact. energy: -0.282
local terms energy: -56.629700
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -4.436
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: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -88.114176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.114176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.114176 (E_RNA)
where:
Base-Base interactions energy: -28.466
where: short stacking energy: -29.066
Base-Backbone interact. energy: -0.151
local terms energy: -59.497417
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -83.803760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.803760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.803760 (E_RNA)
where:
Base-Base interactions energy: -43.475
where: short stacking energy: -20.270
Base-Backbone interact. energy: -0.494
local terms energy: -39.834963
where:
bonds (distance) C4'-P energy: -6.788
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -9.342
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: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -70.329197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.329197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.329197 (E_RNA)
where:
Base-Base interactions energy: -23.793
where: short stacking energy: -23.793
Base-Backbone interact. energy: -0.126
local terms energy: -46.410685
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -224.567472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.567472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.567472 (E_RNA)
where:
Base-Base interactions energy: -139.334
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.716
local terms energy: -84.518148
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -23.047
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: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -219.633894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.633894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.633894 (E_RNA)
where:
Base-Base interactions energy: -149.556
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.054
local terms energy: -70.023972
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -211.972838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.972838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.972838 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -66.020
Base-Backbone interact. energy: 0.226
local terms energy: -75.593829
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -12.051
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: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -174.365231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.365231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.365231 (E_RNA)
where:
Base-Base interactions energy: -100.287
where: short stacking energy: -58.140
Base-Backbone interact. energy: 0.179
local terms energy: -74.257250
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -165.948584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.948584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.948584 (E_RNA)
where:
Base-Base interactions energy: -101.718
where: short stacking energy: -45.756
Base-Backbone interact. energy: -1.570
local terms energy: -62.661075
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -7.849
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: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -148.338484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.338484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.338484 (E_RNA)
where:
Base-Base interactions energy: -94.765
where: short stacking energy: -37.503
Base-Backbone interact. energy: -0.765
local terms energy: -52.808703
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -112.813595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.813595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.813595 (E_RNA)
where:
Base-Base interactions energy: -60.226
where: short stacking energy: -41.496
Base-Backbone interact. energy: 0.354
local terms energy: -52.941382
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -92.246928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.246928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.246928 (E_RNA)
where:
Base-Base interactions energy: -33.250
where: short stacking energy: -33.250
Base-Backbone interact. energy: -0.149
local terms energy: -58.848470
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -80.767393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.767393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.767393 (E_RNA)
where:
Base-Base interactions energy: -32.798
where: short stacking energy: -26.240
Base-Backbone interact. energy: -1.332
local terms energy: -46.637576
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -0.898
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: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -82.825807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.825807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.825807 (E_RNA)
where:
Base-Base interactions energy: -30.861
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.562
local terms energy: -51.402769
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -229.376131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.376131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.376131 (E_RNA)
where:
Base-Base interactions energy: -146.136
where: short stacking energy: -68.595
Base-Backbone interact. energy: -0.493
local terms energy: -82.746797
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -222.807605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.807605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.807605 (E_RNA)
where:
Base-Base interactions energy: -147.355
where: short stacking energy: -64.810
Base-Backbone interact. energy: -0.026
local terms energy: -75.426286
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -213.200014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.200014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.200014 (E_RNA)
where:
Base-Base interactions energy: -139.927
where: short stacking energy: -64.733
Base-Backbone interact. energy: -0.111
local terms energy: -73.162060
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -20.033
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: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -171.669831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.669831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.669831 (E_RNA)
where:
Base-Base interactions energy: -99.496
where: short stacking energy: -54.816
Base-Backbone interact. energy: -0.009
local terms energy: -72.165132
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -166.672410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.672410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.672410 (E_RNA)
where:
Base-Base interactions energy: -105.246
where: short stacking energy: -40.196
Base-Backbone interact. energy: -0.520
local terms energy: -60.905616
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -11.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -175.511666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.511666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.511666 (E_RNA)
where:
Base-Base interactions energy: -105.135
where: short stacking energy: -54.119
Base-Backbone interact. energy: -0.977
local terms energy: -69.400034
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.343
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: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -87.394685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.394685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.394685 (E_RNA)
where:
Base-Base interactions energy: -38.941
where: short stacking energy: -29.014
Base-Backbone interact. energy: -0.201
local terms energy: -48.253490
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -105.327607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.327607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.327607 (E_RNA)
where:
Base-Base interactions energy: -51.529
where: short stacking energy: -33.307
Base-Backbone interact. energy: 0.682
local terms energy: -54.480217
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -82.244388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.244388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.244388 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -22.466
Base-Backbone interact. energy: 1.277
local terms energy: -52.761846
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -75.378574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.378574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.378574 (E_RNA)
where:
Base-Base interactions energy: -25.944
where: short stacking energy: -25.848
Base-Backbone interact. energy: 0.324
local terms energy: -49.758765
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -230.032461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.032461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.032461 (E_RNA)
where:
Base-Base interactions energy: -149.870
where: short stacking energy: -78.481
Base-Backbone interact. energy: -0.363
local terms energy: -79.799550
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -213.165879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.165879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.165879 (E_RNA)
where:
Base-Base interactions energy: -143.597
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.157
local terms energy: -69.412181
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -214.993551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.993551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.993551 (E_RNA)
where:
Base-Base interactions energy: -145.469
where: short stacking energy: -71.094
Base-Backbone interact. energy: -0.186
local terms energy: -69.338561
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -7.889
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: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -180.238863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.238863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.238863 (E_RNA)
where:
Base-Base interactions energy: -113.833
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.129
local terms energy: -66.276472
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -13.802
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: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -160.252175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.252175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.252175 (E_RNA)
where:
Base-Base interactions energy: -95.050
where: short stacking energy: -48.900
Base-Backbone interact. energy: -1.084
local terms energy: -64.118644
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -170.744452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.744452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.744452 (E_RNA)
where:
Base-Base interactions energy: -102.160
where: short stacking energy: -46.289
Base-Backbone interact. energy: -1.588
local terms energy: -66.996665
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -78.169015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.169015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.169015 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -22.043
Base-Backbone interact. energy: -0.476
local terms energy: -41.706527
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -5.982
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: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -86.709726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.709726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.709726 (E_RNA)
where:
Base-Base interactions energy: -29.324
where: short stacking energy: -29.418
Base-Backbone interact. energy: -0.910
local terms energy: -56.475742
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -84.310140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.310140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.310140 (E_RNA)
where:
Base-Base interactions energy: -35.951
where: short stacking energy: -10.288
Base-Backbone interact. energy: 0.173
local terms energy: -48.532367
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -70.395407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.395407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.395407 (E_RNA)
where:
Base-Base interactions energy: -22.364
where: short stacking energy: -22.464
Base-Backbone interact. energy: 0.807
local terms energy: -48.837893
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -213.360079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.360079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.360079 (E_RNA)
where:
Base-Base interactions energy: -147.500
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.569
local terms energy: -65.291789
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -219.713949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.713949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.713949 (E_RNA)
where:
Base-Base interactions energy: -146.805
where: short stacking energy: -71.150
Base-Backbone interact. energy: 1.779
local terms energy: -74.687759
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -208.905138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.905138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.905138 (E_RNA)
where:
Base-Base interactions energy: -134.318
where: short stacking energy: -60.747
Base-Backbone interact. energy: -0.656
local terms energy: -73.930768
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -17.005
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: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -184.453975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.453975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.453975 (E_RNA)
where:
Base-Base interactions energy: -105.714
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.825
local terms energy: -77.914568
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.744
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: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -165.794841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.794841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.794841 (E_RNA)
where:
Base-Base interactions energy: -103.702
where: short stacking energy: -53.760
Base-Backbone interact. energy: -0.081
local terms energy: -62.012219
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -10.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -179.481259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.481259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.481259 (E_RNA)
where:
Base-Base interactions energy: -114.672
where: short stacking energy: -49.395
Base-Backbone interact. energy: -0.320
local terms energy: -64.489267
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -93.139500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.139500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.139500 (E_RNA)
where:
Base-Base interactions energy: -38.017
where: short stacking energy: -37.869
Base-Backbone interact. energy: -0.092
local terms energy: -55.031093
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -1.528
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: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -103.828465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.828465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.828465 (E_RNA)
where:
Base-Base interactions energy: -55.444
where: short stacking energy: -23.733
Base-Backbone interact. energy: -0.215
local terms energy: -48.169694
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -83.879906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.879906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.879906 (E_RNA)
where:
Base-Base interactions energy: -34.735
where: short stacking energy: -27.669
Base-Backbone interact. energy: -0.077
local terms energy: -49.068154
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.733
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: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -82.711291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.711291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.711291 (E_RNA)
where:
Base-Base interactions energy: -28.339
where: short stacking energy: -28.832
Base-Backbone interact. energy: -0.061
local terms energy: -54.310810
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -7.761
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: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -218.536101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.536101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.536101 (E_RNA)
where:
Base-Base interactions energy: -145.505
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.560
local terms energy: -72.471676
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -11.241
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: 61
Temperature: 0.950000
Total energy: -224.597279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.597279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.597279 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.025
local terms energy: -80.606159
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -205.942864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.942864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.942864 (E_RNA)
where:
Base-Base interactions energy: -141.737
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.680
local terms energy: -63.525554
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.552
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: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -173.815517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.815517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.815517 (E_RNA)
where:
Base-Base interactions energy: -102.684
where: short stacking energy: -55.073
Base-Backbone interact. energy: -1.513
local terms energy: -69.618653
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -168.177494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.177494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.177494 (E_RNA)
where:
Base-Base interactions energy: -111.359
where: short stacking energy: -50.752
Base-Backbone interact. energy: -1.075
local terms energy: -55.744145
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -154.950884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.950884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.950884 (E_RNA)
where:
Base-Base interactions energy: -101.746
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.808
local terms energy: -52.397314
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -7.153
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: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -91.846700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.846700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.846700 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -32.998
Base-Backbone interact. energy: -0.358
local terms energy: -58.590114
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -95.395334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.395334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.395334 (E_RNA)
where:
Base-Base interactions energy: -52.215
where: short stacking energy: -22.183
Base-Backbone interact. energy: -0.084
local terms energy: -43.095790
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: 1.607
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: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -79.590882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.590882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.590882 (E_RNA)
where:
Base-Base interactions energy: -32.683
where: short stacking energy: -31.101
Base-Backbone interact. energy: -0.108
local terms energy: -46.800315
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: 2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -74.070184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.070184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.070184 (E_RNA)
where:
Base-Base interactions energy: -21.760
where: short stacking energy: -15.678
Base-Backbone interact. energy: -0.220
local terms energy: -52.090153
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -221.205614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.205614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.205614 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -59.542
Base-Backbone interact. energy: -1.206
local terms energy: -77.251904
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -216.222354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.222354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222354 (E_RNA)
where:
Base-Base interactions energy: -142.979
where: short stacking energy: -57.218
Base-Backbone interact. energy: -0.027
local terms energy: -73.216217
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -9.856
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: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -197.034513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.034513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.034513 (E_RNA)
where:
Base-Base interactions energy: -137.219
where: short stacking energy: -45.698
Base-Backbone interact. energy: -0.990
local terms energy: -58.825472
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -167.873818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.873818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.873818 (E_RNA)
where:
Base-Base interactions energy: -96.714
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.381
local terms energy: -70.778208
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -171.288575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.288575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.288575 (E_RNA)
where:
Base-Base interactions energy: -107.447
where: short stacking energy: -51.482
Base-Backbone interact. energy: -0.136
local terms energy: -63.705283
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -148.908234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.908234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.908234 (E_RNA)
where:
Base-Base interactions energy: -92.737
where: short stacking energy: -44.948
Base-Backbone interact. energy: -1.047
local terms energy: -55.124173
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -88.438991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.438991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.438991 (E_RNA)
where:
Base-Base interactions energy: -42.956
where: short stacking energy: -28.709
Base-Backbone interact. energy: 0.404
local terms energy: -45.886392
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -88.797787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.797787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.797787 (E_RNA)
where:
Base-Base interactions energy: -31.751
where: short stacking energy: -31.751
Base-Backbone interact. energy: 0.352
local terms energy: -57.399623
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -84.709814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.709814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.709814 (E_RNA)
where:
Base-Base interactions energy: -43.045
where: short stacking energy: -19.174
Base-Backbone interact. energy: 0.458
local terms energy: -42.122285
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -0.481
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: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -73.208185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.208185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.208185 (E_RNA)
where:
Base-Base interactions energy: -26.705
where: short stacking energy: -20.384
Base-Backbone interact. energy: 2.043
local terms energy: -48.546660
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -220.645919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.645919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.645919 (E_RNA)
where:
Base-Base interactions energy: -139.828
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.001
local terms energy: -80.816691
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -209.068216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.068216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.068216 (E_RNA)
where:
Base-Base interactions energy: -141.826
where: short stacking energy: -54.671
Base-Backbone interact. energy: 0.302
local terms energy: -67.543943
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -216.519905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.519905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.519905 (E_RNA)
where:
Base-Base interactions energy: -139.483
where: short stacking energy: -64.597
Base-Backbone interact. energy: -0.048
local terms energy: -76.989263
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -20.704
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: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -171.638634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.638634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.638634 (E_RNA)
where:
Base-Base interactions energy: -106.921
where: short stacking energy: -56.421
Base-Backbone interact. energy: -0.280
local terms energy: -64.437443
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -11.144
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: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -158.340965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.340965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.340965 (E_RNA)
where:
Base-Base interactions energy: -93.805
where: short stacking energy: -53.337
Base-Backbone interact. energy: -0.110
local terms energy: -64.426051
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -105.356432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.356432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.356432 (E_RNA)
where:
Base-Base interactions energy: -63.571
where: short stacking energy: -27.056
Base-Backbone interact. energy: 0.267
local terms energy: -42.052343
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -6.402
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: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -139.260998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.260998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.260998 (E_RNA)
where:
Base-Base interactions energy: -76.036
where: short stacking energy: -41.021
Base-Backbone interact. energy: -0.168
local terms energy: -63.057284
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -10.541
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: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -101.912700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.912700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.912700 (E_RNA)
where:
Base-Base interactions energy: -43.936
where: short stacking energy: -40.765
Base-Backbone interact. energy: -0.113
local terms energy: -57.863681
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -5.707
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -89.040262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.040262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.040262 (E_RNA)
where:
Base-Base interactions energy: -28.835
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.204
local terms energy: -60.000718
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -79.306033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.306033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.306033 (E_RNA)
where:
Base-Base interactions energy: -34.980
where: short stacking energy: -29.942
Base-Backbone interact. energy: -0.220
local terms energy: -44.106506
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -7.999
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -214.626470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.626470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.626470 (E_RNA)
where:
Base-Base interactions energy: -145.279
where: short stacking energy: -52.128
Base-Backbone interact. energy: -0.794
local terms energy: -68.553833
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -213.511039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.511039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.511039 (E_RNA)
where:
Base-Base interactions energy: -141.401
where: short stacking energy: -71.938
Base-Backbone interact. energy: -0.078
local terms energy: -72.031348
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -175.997705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.997705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.997705 (E_RNA)
where:
Base-Base interactions energy: -113.097
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.089
local terms energy: -62.811433
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -209.523091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.523091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.523091 (E_RNA)
where:
Base-Base interactions energy: -141.052
where: short stacking energy: -62.757
Base-Backbone interact. energy: -0.002
local terms energy: -68.469138
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -152.250484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.250484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.250484 (E_RNA)
where:
Base-Base interactions energy: -96.655
where: short stacking energy: -44.145
Base-Backbone interact. energy: 0.021
local terms energy: -55.616618
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -103.999637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.999637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.999637 (E_RNA)
where:
Base-Base interactions energy: -52.367
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.123
local terms energy: -51.509622
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -152.567303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.567303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.567303 (E_RNA)
where:
Base-Base interactions energy: -86.575
where: short stacking energy: -45.238
Base-Backbone interact. energy: -0.018
local terms energy: -65.974173
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -90.893108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.893108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.893108 (E_RNA)
where:
Base-Base interactions energy: -43.149
where: short stacking energy: -22.597
Base-Backbone interact. energy: -0.237
local terms energy: -47.507111
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: 0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -89.435220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.435220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.435220 (E_RNA)
where:
Base-Base interactions energy: -34.015
where: short stacking energy: -34.015
Base-Backbone interact. energy: -0.104
local terms energy: -55.316416
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -79.920696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.920696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.920696 (E_RNA)
where:
Base-Base interactions energy: -30.840
where: short stacking energy: -26.053
Base-Backbone interact. energy: -0.169
local terms energy: -48.912175
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -215.840960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.840960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.840960 (E_RNA)
where:
Base-Base interactions energy: -143.070
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.174
local terms energy: -72.596638
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -8.218
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: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -226.729357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.729357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.729357 (E_RNA)
where:
Base-Base interactions energy: -143.439
where: short stacking energy: -67.934
Base-Backbone interact. energy: -0.013
local terms energy: -83.277182
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.961
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: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -181.248356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.248356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248356 (E_RNA)
where:
Base-Base interactions energy: -117.490
where: short stacking energy: -47.776
Base-Backbone interact. energy: -0.043
local terms energy: -63.715297
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -15.806
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: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -213.905682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.905682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.905682 (E_RNA)
where:
Base-Base interactions energy: -140.812
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.127
local terms energy: -72.966406
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -10.964
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: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -180.049287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.049287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.049287 (E_RNA)
where:
Base-Base interactions energy: -105.987
where: short stacking energy: -48.537
Base-Backbone interact. energy: -0.578
local terms energy: -73.484121
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -7.539
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: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -153.119733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.119733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.119733 (E_RNA)
where:
Base-Base interactions energy: -88.592
where: short stacking energy: -37.256
Base-Backbone interact. energy: -0.463
local terms energy: -64.063846
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -87.229398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229398 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -18.188
Base-Backbone interact. energy: -1.236
local terms energy: -44.292730
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: 6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -81.752594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.752594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.752594 (E_RNA)
where:
Base-Base interactions energy: -34.942
where: short stacking energy: -20.458
Base-Backbone interact. energy: -0.133
local terms energy: -46.678222
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: 1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -91.375874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.375874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.375874 (E_RNA)
where:
Base-Base interactions energy: -41.266
where: short stacking energy: -28.173
Base-Backbone interact. energy: -0.471
local terms energy: -49.639540
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -84.962285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.962285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.962285 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -32.170
Base-Backbone interact. energy: -0.131
local terms energy: -46.398939
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -2.993
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: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -229.602532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.602532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.602532 (E_RNA)
where:
Base-Base interactions energy: -147.627
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.680
local terms energy: -81.295303
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -216.712022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.712022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.712022 (E_RNA)
where:
Base-Base interactions energy: -148.060
where: short stacking energy: -64.063
Base-Backbone interact. energy: -1.043
local terms energy: -67.609082
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -9.897
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: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -206.197057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.197057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.197057 (E_RNA)
where:
Base-Base interactions energy: -131.282
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.217
local terms energy: -74.697777
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -177.912490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.912490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.912490 (E_RNA)
where:
Base-Base interactions energy: -107.434
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.788
local terms energy: -69.690901
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -161.048517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.048517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.048517 (E_RNA)
where:
Base-Base interactions energy: -93.070
where: short stacking energy: -45.905
Base-Backbone interact. energy: -0.669
local terms energy: -67.309533
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -172.329945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.329945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.329945 (E_RNA)
where:
Base-Base interactions energy: -111.183
where: short stacking energy: -47.164
Base-Backbone interact. energy: 2.537
local terms energy: -63.684585
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -85.690097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.690097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.690097 (E_RNA)
where:
Base-Base interactions energy: -41.815
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.264
local terms energy: -43.611027
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: 2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -89.604150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.604150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.604150 (E_RNA)
where:
Base-Base interactions energy: -42.125
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.893
local terms energy: -46.586223
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -10.431
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: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -83.739075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.739075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.739075 (E_RNA)
where:
Base-Base interactions energy: -25.972
where: short stacking energy: -25.972
Base-Backbone interact. energy: -1.145
local terms energy: -56.622385
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -5.924
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: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -71.130884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.130884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.130884 (E_RNA)
where:
Base-Base interactions energy: -24.315
where: short stacking energy: -24.615
Base-Backbone interact. energy: -0.109
local terms energy: -46.706359
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -224.189226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.189226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.189226 (E_RNA)
where:
Base-Base interactions energy: -151.821
where: short stacking energy: -57.213
Base-Backbone interact. energy: -0.767
local terms energy: -71.601842
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.895
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: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -213.144286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.144286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.144286 (E_RNA)
where:
Base-Base interactions energy: -145.462
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.554
local terms energy: -67.128204
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -212.765150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.765150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.765150 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -69.416
Base-Backbone interact. energy: -0.126
local terms energy: -77.558437
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -22.909
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: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -174.827196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.827196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.827196 (E_RNA)
where:
Base-Base interactions energy: -101.067
where: short stacking energy: -52.974
Base-Backbone interact. energy: -0.189
local terms energy: -73.571248
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -7.235
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: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -167.140670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.140670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.140670 (E_RNA)
where:
Base-Base interactions energy: -99.311
where: short stacking energy: -45.901
Base-Backbone interact. energy: -0.502
local terms energy: -67.327445
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -201.152841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.152841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.152841 (E_RNA)
where:
Base-Base interactions energy: -132.639
where: short stacking energy: -70.857
Base-Backbone interact. energy: -0.012
local terms energy: -68.501612
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -104.104824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.104824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.104824 (E_RNA)
where:
Base-Base interactions energy: -55.727
where: short stacking energy: -30.705
Base-Backbone interact. energy: -0.219
local terms energy: -48.158879
where:
bonds (distance) C4'-P energy: -1.411
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -86.165044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.165044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.165044 (E_RNA)
where:
Base-Base interactions energy: -37.476
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.021
local terms energy: -48.667469
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -5.302
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: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -92.991317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991317 (E_RNA)
where:
Base-Base interactions energy: -44.295
where: short stacking energy: -42.610
Base-Backbone interact. energy: -0.738
local terms energy: -47.958468
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -4.901
flat angles P-C4'-P energy: -10.202
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -81.120129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.120129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.120129 (E_RNA)
where:
Base-Base interactions energy: -39.135
where: short stacking energy: -21.848
Base-Backbone interact. energy: 0.414
local terms energy: -42.399991
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -226.731922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.731922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.731922 (E_RNA)
where:
Base-Base interactions energy: -152.967
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.511
local terms energy: -73.253555
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -208.388422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.388422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.388422 (E_RNA)
where:
Base-Base interactions energy: -147.809
where: short stacking energy: -51.194
Base-Backbone interact. energy: -1.002
local terms energy: -59.577599
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -207.873800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.873800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.873800 (E_RNA)
where:
Base-Base interactions energy: -138.626
where: short stacking energy: -64.573
Base-Backbone interact. energy: -0.000
local terms energy: -69.247317
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -162.133379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.133379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.133379 (E_RNA)
where:
Base-Base interactions energy: -98.621
where: short stacking energy: -47.278
Base-Backbone interact. energy: -0.692
local terms energy: -62.820460
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -14.234
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: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -198.059304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.059304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.059304 (E_RNA)
where:
Base-Base interactions energy: -133.495
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.127
local terms energy: -64.436613
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -165.821316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.821316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.821316 (E_RNA)
where:
Base-Base interactions energy: -104.035
where: short stacking energy: -45.285
Base-Backbone interact. energy: -0.072
local terms energy: -61.714653
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -106.534974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.534974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.534974 (E_RNA)
where:
Base-Base interactions energy: -54.047
where: short stacking energy: -40.311
Base-Backbone interact. energy: 0.373
local terms energy: -52.860600
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -95.453155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.453155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.453155 (E_RNA)
where:
Base-Base interactions energy: -42.629
where: short stacking energy: -35.721
Base-Backbone interact. energy: -0.196
local terms energy: -52.628231
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -79.235815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235815 (E_RNA)
where:
Base-Base interactions energy: -32.382
where: short stacking energy: -29.489
Base-Backbone interact. energy: -0.312
local terms energy: -46.542183
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -8.185
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -73.615586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.615586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.615586 (E_RNA)
where:
Base-Base interactions energy: -34.284
where: short stacking energy: -29.240
Base-Backbone interact. energy: -0.044
local terms energy: -39.287660
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -1.364
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: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -222.511881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.511881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.511881 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -63.284
Base-Backbone interact. energy: -0.000
local terms energy: -80.094031
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -22.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -207.017890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.017890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.017890 (E_RNA)
where:
Base-Base interactions energy: -136.646
where: short stacking energy: -58.219
Base-Backbone interact. energy: -1.005
local terms energy: -69.365937
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -210.854715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.854715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.854715 (E_RNA)
where:
Base-Base interactions energy: -142.609
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.414
local terms energy: -67.832042
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -197.445380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.445380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.445380 (E_RNA)
where:
Base-Base interactions energy: -134.385
where: short stacking energy: -50.673
Base-Backbone interact. energy: -0.759
local terms energy: -62.301399
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -183.422586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.422586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.422586 (E_RNA)
where:
Base-Base interactions energy: -106.787
where: short stacking energy: -47.326
Base-Backbone interact. energy: -0.109
local terms energy: -76.526324
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -168.230831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.230831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.230831 (E_RNA)
where:
Base-Base interactions energy: -101.464
where: short stacking energy: -53.465
Base-Backbone interact. energy: -0.155
local terms energy: -66.612017
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -88.515739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.515739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.515739 (E_RNA)
where:
Base-Base interactions energy: -34.807
where: short stacking energy: -31.877
Base-Backbone interact. energy: -0.106
local terms energy: -53.602572
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.365
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: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -105.979766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.979766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.979766 (E_RNA)
where:
Base-Base interactions energy: -46.231
where: short stacking energy: -23.625
Base-Backbone interact. energy: -0.083
local terms energy: -59.666011
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -80.098500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.098500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.098500 (E_RNA)
where:
Base-Base interactions energy: -37.788
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.150
local terms energy: -42.160177
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -7.707
flat angles P-C4'-P energy: -2.349
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: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -75.428537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.428537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.428537 (E_RNA)
where:
Base-Base interactions energy: -24.711
where: short stacking energy: -18.038
Base-Backbone interact. energy: 2.283
local terms energy: -53.000100
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -7.938
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -226.941964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.941964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.941964 (E_RNA)
where:
Base-Base interactions energy: -147.691
where: short stacking energy: -71.654
Base-Backbone interact. energy: -1.139
local terms energy: -78.112076
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -206.826364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.826364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.826364 (E_RNA)
where:
Base-Base interactions energy: -141.633
where: short stacking energy: -55.945
Base-Backbone interact. energy: -0.231
local terms energy: -64.962446
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -212.860191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.860191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.860191 (E_RNA)
where:
Base-Base interactions energy: -139.340
where: short stacking energy: -51.591
Base-Backbone interact. energy: -0.101
local terms energy: -73.418920
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -195.387713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.387713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.387713 (E_RNA)
where:
Base-Base interactions energy: -125.097
where: short stacking energy: -51.324
Base-Backbone interact. energy: -0.365
local terms energy: -69.925086
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -8.820
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: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -177.161810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.161810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.161810 (E_RNA)
where:
Base-Base interactions energy: -105.071
where: short stacking energy: -40.877
Base-Backbone interact. energy: -0.262
local terms energy: -71.828529
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -11.923
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: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -157.023781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.023781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.023781 (E_RNA)
where:
Base-Base interactions energy: -81.921
where: short stacking energy: -48.461
Base-Backbone interact. energy: -0.024
local terms energy: -75.079179
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -12.250
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: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -95.904277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.904277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.904277 (E_RNA)
where:
Base-Base interactions energy: -32.834
where: short stacking energy: -32.368
Base-Backbone interact. energy: 0.151
local terms energy: -63.221401
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -10.160
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: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -95.080354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.080354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.080354 (E_RNA)
where:
Base-Base interactions energy: -34.401
where: short stacking energy: -29.830
Base-Backbone interact. energy: -0.142
local terms energy: -60.537401
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -100.251210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.251210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.251210 (E_RNA)
where:
Base-Base interactions energy: -45.733
where: short stacking energy: -40.707
Base-Backbone interact. energy: -0.131
local terms energy: -54.387891
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -84.047599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.047599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.047599 (E_RNA)
where:
Base-Base interactions energy: -31.029
where: short stacking energy: -27.600
Base-Backbone interact. energy: -0.098
local terms energy: -52.920238
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -6.320
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: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -226.413674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.413674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.413674 (E_RNA)
where:
Base-Base interactions energy: -144.809
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.319
local terms energy: -81.285673
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -13.101
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: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -226.293619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.293619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.293619 (E_RNA)
where:
Base-Base interactions energy: -147.542
where: short stacking energy: -66.463
Base-Backbone interact. energy: -0.294
local terms energy: -78.456735
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -21.832
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: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -209.283837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.283837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.283837 (E_RNA)
where:
Base-Base interactions energy: -144.948
where: short stacking energy: -57.803
Base-Backbone interact. energy: -0.661
local terms energy: -63.674530
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -14.493
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: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -163.236371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.236371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.236371 (E_RNA)
where:
Base-Base interactions energy: -107.663
where: short stacking energy: -37.437
Base-Backbone interact. energy: -0.699
local terms energy: -54.875213
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.532
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: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -197.602889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.602889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.602889 (E_RNA)
where:
Base-Base interactions energy: -133.423
where: short stacking energy: -50.184
Base-Backbone interact. energy: -0.041
local terms energy: -64.139488
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -11.450
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: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -162.277257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.277257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.277257 (E_RNA)
where:
Base-Base interactions energy: -101.503
where: short stacking energy: -53.965
Base-Backbone interact. energy: -0.002
local terms energy: -60.772017
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -93.133576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.133576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.133576 (E_RNA)
where:
Base-Base interactions energy: -42.859
where: short stacking energy: -18.583
Base-Backbone interact. energy: -0.309
local terms energy: -49.965233
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -94.098677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.098677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.098677 (E_RNA)
where:
Base-Base interactions energy: -47.523
where: short stacking energy: -42.538
Base-Backbone interact. energy: -0.174
local terms energy: -46.401253
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -5.750
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -81.118119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.118119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.118119 (E_RNA)
where:
Base-Base interactions energy: -34.964
where: short stacking energy: -31.073
Base-Backbone interact. energy: 0.076
local terms energy: -46.230097
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -6.488
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: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -77.630998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.630998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.630998 (E_RNA)
where:
Base-Base interactions energy: -28.318
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.087
local terms energy: -49.225091
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -225.591852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.591852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.591852 (E_RNA)
where:
Base-Base interactions energy: -146.803
where: short stacking energy: -76.663
Base-Backbone interact. energy: -0.000
local terms energy: -78.788952
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -21.784
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: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -222.690639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.690639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.690639 (E_RNA)
where:
Base-Base interactions energy: -147.652
where: short stacking energy: -56.024
Base-Backbone interact. energy: -0.103
local terms energy: -74.935668
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -202.770962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.770962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.770962 (E_RNA)
where:
Base-Base interactions energy: -130.354
where: short stacking energy: -58.292
Base-Backbone interact. energy: -0.049
local terms energy: -72.368228
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -179.693037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.693037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.693037 (E_RNA)
where:
Base-Base interactions energy: -108.482
where: short stacking energy: -60.543
Base-Backbone interact. energy: -0.016
local terms energy: -71.195035
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -169.383055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.383055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.383055 (E_RNA)
where:
Base-Base interactions energy: -106.438
where: short stacking energy: -38.918
Base-Backbone interact. energy: -0.525
local terms energy: -62.420075
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -197.663472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.663472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.663472 (E_RNA)
where:
Base-Base interactions energy: -129.251
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.155
local terms energy: -68.258341
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -96.236419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.236419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.236419 (E_RNA)
where:
Base-Base interactions energy: -42.304
where: short stacking energy: -24.149
Base-Backbone interact. energy: -0.244
local terms energy: -53.688041
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -88.698756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.698756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.698756 (E_RNA)
where:
Base-Base interactions energy: -41.025
where: short stacking energy: -32.374
Base-Backbone interact. energy: -0.345
local terms energy: -47.329018
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: 1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -78.590621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.590621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.590621 (E_RNA)
where:
Base-Base interactions energy: -25.614
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.231
local terms energy: -52.745957
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -80.421506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.421506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.421506 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -36.089
Base-Backbone interact. energy: -0.126
local terms energy: -42.044166
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -224.276435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.276435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.276435 (E_RNA)
where:
Base-Base interactions energy: -145.523
where: short stacking energy: -77.175
Base-Backbone interact. energy: -0.021
local terms energy: -78.732020
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -223.598515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.598515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.598515 (E_RNA)
where:
Base-Base interactions energy: -150.061
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.000
local terms energy: -73.537126
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -214.468091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.468091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.468091 (E_RNA)
where:
Base-Base interactions energy: -145.414
where: short stacking energy: -58.757
Base-Backbone interact. energy: -1.878
local terms energy: -67.176012
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -193.901942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.901942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.901942 (E_RNA)
where:
Base-Base interactions energy: -122.532
where: short stacking energy: -52.179
Base-Backbone interact. energy: -0.849
local terms energy: -70.521112
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -164.763699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.763699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.763699 (E_RNA)
where:
Base-Base interactions energy: -100.774
where: short stacking energy: -60.118
Base-Backbone interact. energy: -0.093
local terms energy: -63.897147
where:
bonds (distance) C4'-P energy: -8.273
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -185.869894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.869894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.869894 (E_RNA)
where:
Base-Base interactions energy: -131.135
where: short stacking energy: -44.633
Base-Backbone interact. energy: -1.611
local terms energy: -53.124114
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -85.116852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.116852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.116852 (E_RNA)
where:
Base-Base interactions energy: -31.228
where: short stacking energy: -30.378
Base-Backbone interact. energy: -0.360
local terms energy: -53.528818
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -81.334713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.334713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.334713 (E_RNA)
where:
Base-Base interactions energy: -28.115
where: short stacking energy: -27.996
Base-Backbone interact. energy: 0.389
local terms energy: -53.608940
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -86.374531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.374531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.374531 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -32.740
Base-Backbone interact. energy: 0.253
local terms energy: -45.326785
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -84.710272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.710272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.710272 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -35.919
Base-Backbone interact. energy: -0.124
local terms energy: -48.666851
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -8.461
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -220.647673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.647673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.647673 (E_RNA)
where:
Base-Base interactions energy: -147.004
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.316
local terms energy: -73.327921
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -228.677304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.677304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.677304 (E_RNA)
where:
Base-Base interactions energy: -151.330
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.101
local terms energy: -77.246343
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -11.092
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: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -223.986517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.986517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.986517 (E_RNA)
where:
Base-Base interactions energy: -146.866
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.135
local terms energy: -76.986065
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -187.482711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.482711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.482711 (E_RNA)
where:
Base-Base interactions energy: -116.083
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.023
local terms energy: -71.376780
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -16.955
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: 74
Temperature: 1.100000
Total energy: -190.143515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.143515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.143515 (E_RNA)
where:
Base-Base interactions energy: -126.370
where: short stacking energy: -44.121
Base-Backbone interact. energy: -0.154
local terms energy: -63.620296
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -149.033136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.033136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.033136 (E_RNA)
where:
Base-Base interactions energy: -96.257
where: short stacking energy: -31.053
Base-Backbone interact. energy: -0.299
local terms energy: -52.476887
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -87.742524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.742524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.742524 (E_RNA)
where:
Base-Base interactions energy: -30.064
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.139
local terms energy: -57.539014
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -90.675747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.675747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.675747 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -30.566
Base-Backbone interact. energy: 1.475
local terms energy: -58.313273
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -82.574891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.574891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.574891 (E_RNA)
where:
Base-Base interactions energy: -29.052
where: short stacking energy: -28.608
Base-Backbone interact. energy: -0.172
local terms energy: -53.351082
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -98.952777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.952777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.952777 (E_RNA)
where:
Base-Base interactions energy: -45.914
where: short stacking energy: -45.914
Base-Backbone interact. energy: -0.006
local terms energy: -53.032933
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -227.037203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.037203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.037203 (E_RNA)
where:
Base-Base interactions energy: -146.129
where: short stacking energy: -69.435
Base-Backbone interact. energy: -1.333
local terms energy: -79.575177
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -224.404314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.404314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.404314 (E_RNA)
where:
Base-Base interactions energy: -148.977
where: short stacking energy: -65.571
Base-Backbone interact. energy: -0.078
local terms energy: -75.349370
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -220.118136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.118136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.118136 (E_RNA)
where:
Base-Base interactions energy: -139.764
where: short stacking energy: -71.113
Base-Backbone interact. energy: 1.670
local terms energy: -82.023883
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -22.100
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: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -182.432362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.432362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.432362 (E_RNA)
where:
Base-Base interactions energy: -115.406
where: short stacking energy: -50.619
Base-Backbone interact. energy: -0.129
local terms energy: -66.896969
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -174.520399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.520399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.520399 (E_RNA)
where:
Base-Base interactions energy: -110.024
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.104
local terms energy: -64.391921
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -148.375888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.375888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.375888 (E_RNA)
where:
Base-Base interactions energy: -104.009
where: short stacking energy: -51.850
Base-Backbone interact. energy: -0.073
local terms energy: -44.294071
where:
bonds (distance) C4'-P energy: -6.398
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -89.272128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.272128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.272128 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -24.993
Base-Backbone interact. energy: -1.320
local terms energy: -57.294687
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -88.236229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.236229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.236229 (E_RNA)
where:
Base-Base interactions energy: -30.770
where: short stacking energy: -31.091
Base-Backbone interact. energy: 0.671
local terms energy: -58.136312
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -75.787154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.787154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.787154 (E_RNA)
where:
Base-Base interactions energy: -25.312
where: short stacking energy: -23.994
Base-Backbone interact. energy: -0.455
local terms energy: -50.020305
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -87.131443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.131443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.131443 (E_RNA)
where:
Base-Base interactions energy: -35.249
where: short stacking energy: -35.249
Base-Backbone interact. energy: -0.160
local terms energy: -51.722447
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -220.432183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.432183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.432183 (E_RNA)
where:
Base-Base interactions energy: -152.069
where: short stacking energy: -54.364
Base-Backbone interact. energy: -1.152
local terms energy: -67.211375
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -16.767
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: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -217.978109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.978109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.978109 (E_RNA)
where:
Base-Base interactions energy: -140.760
where: short stacking energy: -66.927
Base-Backbone interact. energy: -0.055
local terms energy: -77.163763
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -214.465981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.465981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.465981 (E_RNA)
where:
Base-Base interactions energy: -145.413
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.001
local terms energy: -69.052233
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -21.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -187.689754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.689754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.689754 (E_RNA)
where:
Base-Base interactions energy: -114.146
where: short stacking energy: -45.140
Base-Backbone interact. energy: -1.799
local terms energy: -71.744893
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -12.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -158.649773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.649773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.649773 (E_RNA)
where:
Base-Base interactions energy: -89.746
where: short stacking energy: -35.350
Base-Backbone interact. energy: -1.296
local terms energy: -67.607657
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -9.799
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: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -186.648321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.648321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.648321 (E_RNA)
where:
Base-Base interactions energy: -114.361
where: short stacking energy: -63.933
Base-Backbone interact. energy: -0.002
local terms energy: -72.285191
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -11.151
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: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -100.208550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.208550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.208550 (E_RNA)
where:
Base-Base interactions energy: -42.008
where: short stacking energy: -41.942
Base-Backbone interact. energy: -0.874
local terms energy: -57.326461
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -5.226
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: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -89.232821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.232821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.232821 (E_RNA)
where:
Base-Base interactions energy: -32.410
where: short stacking energy: -32.410
Base-Backbone interact. energy: -0.060
local terms energy: -56.763124
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -77.679955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.679955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.679955 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -26.159
Base-Backbone interact. energy: -0.096
local terms energy: -43.133199
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -75.401858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.401858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.401858 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.169
local terms energy: -38.912045
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: 0.085
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -220.679678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.679678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.679678 (E_RNA)
where:
Base-Base interactions energy: -145.328
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.180
local terms energy: -75.171029
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -203.954122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.954122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.954122 (E_RNA)
where:
Base-Base interactions energy: -134.440
where: short stacking energy: -68.844
Base-Backbone interact. energy: -0.006
local terms energy: -69.507627
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -210.898014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.898014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.898014 (E_RNA)
where:
Base-Base interactions energy: -140.583
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.340
local terms energy: -69.975013
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -206.663615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.663615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.663615 (E_RNA)
where:
Base-Base interactions energy: -142.329
where: short stacking energy: -51.051
Base-Backbone interact. energy: -2.032
local terms energy: -62.302088
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -11.678
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: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -160.721376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.721376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.721376 (E_RNA)
where:
Base-Base interactions energy: -99.712
where: short stacking energy: -49.977
Base-Backbone interact. energy: -0.099
local terms energy: -60.909864
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -11.850
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: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -156.430830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.430830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.430830 (E_RNA)
where:
Base-Base interactions energy: -94.267
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.062
local terms energy: -62.101811
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -92.083451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.083451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.083451 (E_RNA)
where:
Base-Base interactions energy: -37.630
where: short stacking energy: -20.508
Base-Backbone interact. energy: 0.961
local terms energy: -55.414551
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -81.636511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.636511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.636511 (E_RNA)
where:
Base-Base interactions energy: -31.924
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.955
local terms energy: -48.757566
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -11.217
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: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -106.074637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.074637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.074637 (E_RNA)
where:
Base-Base interactions energy: -60.672
where: short stacking energy: -36.806
Base-Backbone interact. energy: 0.464
local terms energy: -45.867096
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -90.825653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.825653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.825653 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -36.792
Base-Backbone interact. energy: -0.036
local terms energy: -49.690951
where:
bonds (distance) C4'-P energy: -6.820
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -223.446695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.446695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.446695 (E_RNA)
where:
Base-Base interactions energy: -147.013
where: short stacking energy: -62.005
Base-Backbone interact. energy: -0.197
local terms energy: -76.237286
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -11.617
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: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -219.166788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.166788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.166788 (E_RNA)
where:
Base-Base interactions energy: -144.033
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.164
local terms energy: -74.970324
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -211.040173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.040173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.040173 (E_RNA)
where:
Base-Base interactions energy: -138.172
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.124
local terms energy: -72.744753
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -197.644887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.644887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.644887 (E_RNA)
where:
Base-Base interactions energy: -132.961
where: short stacking energy: -48.274
Base-Backbone interact. energy: -0.639
local terms energy: -64.045001
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -160.085531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.085531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.085531 (E_RNA)
where:
Base-Base interactions energy: -100.476
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.013
local terms energy: -59.596845
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -148.724645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.724645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.724645 (E_RNA)
where:
Base-Base interactions energy: -93.259
where: short stacking energy: -40.160
Base-Backbone interact. energy: 0.674
local terms energy: -56.139459
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -90.409202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409202 (E_RNA)
where:
Base-Base interactions energy: -34.200
where: short stacking energy: -34.087
Base-Backbone interact. energy: -0.040
local terms energy: -56.169313
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -101.596874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.596874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.596874 (E_RNA)
where:
Base-Base interactions energy: -51.410
where: short stacking energy: -38.998
Base-Backbone interact. energy: -0.026
local terms energy: -50.160597
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -93.404103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.404103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.404103 (E_RNA)
where:
Base-Base interactions energy: -56.863
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.261
local terms energy: -36.280170
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -7.260
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -6.409
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -84.449910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.449910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.449910 (E_RNA)
where:
Base-Base interactions energy: -33.982
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.089
local terms energy: -50.379150
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -8.897
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -8.701
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: 79
Temperature: 0.900000
Total energy: -222.411383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.411383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.411383 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.355
local terms energy: -78.515382
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -217.778526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.778526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.778526 (E_RNA)
where:
Base-Base interactions energy: -143.581
where: short stacking energy: -62.698
Base-Backbone interact. energy: -0.048
local terms energy: -74.149307
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -213.401708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.401708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.401708 (E_RNA)
where:
Base-Base interactions energy: -137.972
where: short stacking energy: -66.357
Base-Backbone interact. energy: -0.297
local terms energy: -75.132859
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -11.626
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: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -203.636833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.636833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.636833 (E_RNA)
where:
Base-Base interactions energy: -133.024
where: short stacking energy: -47.709
Base-Backbone interact. energy: -0.492
local terms energy: -70.120413
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -175.779038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.779038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.779038 (E_RNA)
where:
Base-Base interactions energy: -106.233
where: short stacking energy: -56.370
Base-Backbone interact. energy: -0.169
local terms energy: -69.376624
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -11.566
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: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -154.175669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.175669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.175669 (E_RNA)
where:
Base-Base interactions energy: -105.865
where: short stacking energy: -45.795
Base-Backbone interact. energy: 1.411
local terms energy: -49.721522
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -6.283
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -93.081533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.081533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.081533 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -32.405
Base-Backbone interact. energy: -0.011
local terms energy: -59.676779
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -9.980
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -85.637549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.637549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.637549 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.198
local terms energy: -55.761564
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -6.149
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: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -100.203534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.203534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.203534 (E_RNA)
where:
Base-Base interactions energy: -46.659
where: short stacking energy: -34.262
Base-Backbone interact. energy: -0.126
local terms energy: -53.418071
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -2.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -75.300724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.300724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.300724 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -31.003
Base-Backbone interact. energy: -0.144
local terms energy: -37.510077
where:
bonds (distance) C4'-P energy: -5.763
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -227.635602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.635602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.635602 (E_RNA)
where:
Base-Base interactions energy: -149.143
where: short stacking energy: -74.635
Base-Backbone interact. energy: 0.152
local terms energy: -78.644759
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -21.365
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: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -225.002143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.002143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.002143 (E_RNA)
where:
Base-Base interactions energy: -145.870
where: short stacking energy: -67.007
Base-Backbone interact. energy: -1.055
local terms energy: -78.077695
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -212.213480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.213480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.213480 (E_RNA)
where:
Base-Base interactions energy: -135.467
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.006
local terms energy: -76.740174
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -216.341196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.341196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.341196 (E_RNA)
where:
Base-Base interactions energy: -139.305
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.001
local terms energy: -77.035916
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -165.871318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.871318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.871318 (E_RNA)
where:
Base-Base interactions energy: -102.188
where: short stacking energy: -52.559
Base-Backbone interact. energy: -0.042
local terms energy: -63.641291
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -142.753694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.753694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.753694 (E_RNA)
where:
Base-Base interactions energy: -90.071
where: short stacking energy: -38.798
Base-Backbone interact. energy: -0.250
local terms energy: -52.431957
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -95.788277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.788277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.788277 (E_RNA)
where:
Base-Base interactions energy: -44.090
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.104
local terms energy: -51.593625
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -90.218227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.218227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.218227 (E_RNA)
where:
Base-Base interactions energy: -37.976
where: short stacking energy: -32.379
Base-Backbone interact. energy: -0.124
local terms energy: -52.118915
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -77.725034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.725034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.725034 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -28.050
Base-Backbone interact. energy: -0.111
local terms energy: -47.049753
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -85.749367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.749367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.749367 (E_RNA)
where:
Base-Base interactions energy: -36.786
where: short stacking energy: -24.685
Base-Backbone interact. energy: -0.598
local terms energy: -48.365741
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -226.282604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.282604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.282604 (E_RNA)
where:
Base-Base interactions energy: -152.914
where: short stacking energy: -73.062
Base-Backbone interact. energy: -0.016
local terms energy: -73.353300
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -21.657
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: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -213.052498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.052498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.052498 (E_RNA)
where:
Base-Base interactions energy: -145.526
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.699
local terms energy: -66.827291
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -18.148
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: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -215.099097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.099097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.099097 (E_RNA)
where:
Base-Base interactions energy: -138.192
where: short stacking energy: -65.911
Base-Backbone interact. energy: -0.747
local terms energy: -76.159513
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -214.220598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.220598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.220598 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -64.832
Base-Backbone interact. energy: -0.089
local terms energy: -69.844955
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.731
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: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -140.147094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.147094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.147094 (E_RNA)
where:
Base-Base interactions energy: -83.055
where: short stacking energy: -36.719
Base-Backbone interact. energy: -0.263
local terms energy: -56.829245
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -95.284164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.284164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.284164 (E_RNA)
where:
Base-Base interactions energy: -39.951
where: short stacking energy: -33.554
Base-Backbone interact. energy: -0.157
local terms energy: -55.176324
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -144.612587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.612587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.612587 (E_RNA)
where:
Base-Base interactions energy: -83.702
where: short stacking energy: -41.674
Base-Backbone interact. energy: -0.004
local terms energy: -60.906457
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -106.673210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.673210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.673210 (E_RNA)
where:
Base-Base interactions energy: -59.380
where: short stacking energy: -30.218
Base-Backbone interact. energy: -0.285
local terms energy: -47.007685
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -8.823
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: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -86.443576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.443576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.443576 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -32.739
Base-Backbone interact. energy: -0.011
local terms energy: -49.357827
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -8.441
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: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -80.998260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.998260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.998260 (E_RNA)
where:
Base-Base interactions energy: -30.815
where: short stacking energy: -30.815
Base-Backbone interact. energy: -0.811
local terms energy: -49.371972
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -225.916927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.916927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.916927 (E_RNA)
where:
Base-Base interactions energy: -143.899
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.034
local terms energy: -81.984151
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -22.484
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: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -214.007378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.007378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.007378 (E_RNA)
where:
Base-Base interactions energy: -146.806
where: short stacking energy: -53.783
Base-Backbone interact. energy: -0.575
local terms energy: -66.625637
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -205.210602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.210602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.210602 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -59.354
Base-Backbone interact. energy: -1.210
local terms energy: -68.394814
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -7.925
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: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -213.555211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.555211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.555211 (E_RNA)
where:
Base-Base interactions energy: -143.695
where: short stacking energy: -67.302
Base-Backbone interact. energy: -0.006
local terms energy: -69.853812
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -119.390119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.390119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.390119 (E_RNA)
where:
Base-Base interactions energy: -71.931
where: short stacking energy: -36.695
Base-Backbone interact. energy: -0.065
local terms energy: -47.394229
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -134.311806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.311806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.311806 (E_RNA)
where:
Base-Base interactions energy: -76.802
where: short stacking energy: -42.430
Base-Backbone interact. energy: -0.544
local terms energy: -56.965171
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -8.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -97.213337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.213337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.213337 (E_RNA)
where:
Base-Base interactions energy: -42.734
where: short stacking energy: -36.680
Base-Backbone interact. energy: -0.392
local terms energy: -54.087753
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -12.685
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: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -159.388831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.388831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.388831 (E_RNA)
where:
Base-Base interactions energy: -99.619
where: short stacking energy: -39.029
Base-Backbone interact. energy: 0.315
local terms energy: -60.085099
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -77.931529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.931529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.931529 (E_RNA)
where:
Base-Base interactions energy: -34.651
where: short stacking energy: -23.032
Base-Backbone interact. energy: -0.527
local terms energy: -42.752588
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -78.831331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.831331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.831331 (E_RNA)
where:
Base-Base interactions energy: -26.940
where: short stacking energy: -26.940
Base-Backbone interact. energy: -0.098
local terms energy: -51.793831
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -231.145630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.145630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.145630 (E_RNA)
where:
Base-Base interactions energy: -151.105
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.439
local terms energy: -79.601943
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -220.285385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.285385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.285385 (E_RNA)
where:
Base-Base interactions energy: -141.265
where: short stacking energy: -65.563
Base-Backbone interact. energy: -0.039
local terms energy: -78.981217
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -213.084078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.084078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.084078 (E_RNA)
where:
Base-Base interactions energy: -134.828
where: short stacking energy: -64.515
Base-Backbone interact. energy: -0.096
local terms energy: -78.160155
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -210.655135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.655135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.655135 (E_RNA)
where:
Base-Base interactions energy: -143.444
where: short stacking energy: -74.849
Base-Backbone interact. energy: -0.536
local terms energy: -66.674699
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -143.478291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.478291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.478291 (E_RNA)
where:
Base-Base interactions energy: -83.015
where: short stacking energy: -45.874
Base-Backbone interact. energy: -1.745
local terms energy: -58.717699
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -100.957431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.957431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.957431 (E_RNA)
where:
Base-Base interactions energy: -50.170
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.812
local terms energy: -49.976200
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -166.435321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.435321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.435321 (E_RNA)
where:
Base-Base interactions energy: -94.889
where: short stacking energy: -43.312
Base-Backbone interact. energy: -0.060
local terms energy: -71.486221
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -124.694298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.694298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.694298 (E_RNA)
where:
Base-Base interactions energy: -77.509
where: short stacking energy: -37.113
Base-Backbone interact. energy: -0.428
local terms energy: -46.757172
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -78.710894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.710894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.710894 (E_RNA)
where:
Base-Base interactions energy: -29.070
where: short stacking energy: -29.070
Base-Backbone interact. energy: 0.736
local terms energy: -50.376914
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -6.478
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -67.916902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.916902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.916902 (E_RNA)
where:
Base-Base interactions energy: -14.733
where: short stacking energy: -12.107
Base-Backbone interact. energy: 0.912
local terms energy: -54.095893
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -1.512
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: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -227.079733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.079733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.079733 (E_RNA)
where:
Base-Base interactions energy: -149.423
where: short stacking energy: -74.363
Base-Backbone interact. energy: -0.000
local terms energy: -77.656228
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -19.482
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: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -216.176041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.176041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.176041 (E_RNA)
where:
Base-Base interactions energy: -138.146
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.278
local terms energy: -77.751737
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.331
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: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -218.431977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.431977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.431977 (E_RNA)
where:
Base-Base interactions energy: -142.250
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.028
local terms energy: -76.154046
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -203.223296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223296 (E_RNA)
where:
Base-Base interactions energy: -141.131
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.056
local terms energy: -62.035796
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -105.014092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.014092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.014092 (E_RNA)
where:
Base-Base interactions energy: -49.262
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.212
local terms energy: -55.540533
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -111.432905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.432905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.432905 (E_RNA)
where:
Base-Base interactions energy: -49.965
where: short stacking energy: -36.660
Base-Backbone interact. energy: -0.050
local terms energy: -61.418030
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -138.143991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.143991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.143991 (E_RNA)
where:
Base-Base interactions energy: -80.897
where: short stacking energy: -37.898
Base-Backbone interact. energy: -1.389
local terms energy: -55.858706
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -87.477449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.477449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.477449 (E_RNA)
where:
Base-Base interactions energy: -29.269
where: short stacking energy: -26.880
Base-Backbone interact. energy: 0.329
local terms energy: -58.537149
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -79.865323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865323 (E_RNA)
where:
Base-Base interactions energy: -28.166
where: short stacking energy: -25.107
Base-Backbone interact. energy: -0.556
local terms energy: -51.143417
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -82.991800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.991800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.991800 (E_RNA)
where:
Base-Base interactions energy: -37.437
where: short stacking energy: -37.437
Base-Backbone interact. energy: -0.097
local terms energy: -45.457827
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -3.676
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -225.181638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.181638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.181638 (E_RNA)
where:
Base-Base interactions energy: -142.980
where: short stacking energy: -69.147
Base-Backbone interact. energy: -1.145
local terms energy: -81.056390
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -21.311
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: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -218.954035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.954035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.954035 (E_RNA)
where:
Base-Base interactions energy: -142.358
where: short stacking energy: -65.288
Base-Backbone interact. energy: -0.323
local terms energy: -76.272152
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -21.097
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: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -202.478714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.478714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.478714 (E_RNA)
where:
Base-Base interactions energy: -136.883
where: short stacking energy: -44.716
Base-Backbone interact. energy: -2.113
local terms energy: -63.482498
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -211.182139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.182139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.182139 (E_RNA)
where:
Base-Base interactions energy: -136.388
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.440
local terms energy: -74.354320
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -18.760
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: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -142.419534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.419534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.419534 (E_RNA)
where:
Base-Base interactions energy: -79.180
where: short stacking energy: -58.908
Base-Backbone interact. energy: 0.852
local terms energy: -64.091344
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -146.184547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.184547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.184547 (E_RNA)
where:
Base-Base interactions energy: -83.154
where: short stacking energy: -50.677
Base-Backbone interact. energy: -0.790
local terms energy: -62.239813
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -86.627212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.627212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.627212 (E_RNA)
where:
Base-Base interactions energy: -43.166
where: short stacking energy: -28.547
Base-Backbone interact. energy: 0.591
local terms energy: -44.052870
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: 2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -88.805414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.805414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.805414 (E_RNA)
where:
Base-Base interactions energy: -44.597
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.287
local terms energy: -43.921831
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -83.064398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.064398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.064398 (E_RNA)
where:
Base-Base interactions energy: -31.762
where: short stacking energy: -30.110
Base-Backbone interact. energy: -0.149
local terms energy: -51.152984
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -2.586
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: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -89.847010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.847010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.847010 (E_RNA)
where:
Base-Base interactions energy: -35.485
where: short stacking energy: -33.311
Base-Backbone interact. energy: -0.008
local terms energy: -54.353998
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -224.843640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.843640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.843640 (E_RNA)
where:
Base-Base interactions energy: -152.556
where: short stacking energy: -63.832
Base-Backbone interact. energy: -0.380
local terms energy: -71.907277
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -20.003
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: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -224.218487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.218487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.218487 (E_RNA)
where:
Base-Base interactions energy: -146.426
where: short stacking energy: -72.978
Base-Backbone interact. energy: -0.360
local terms energy: -77.431932
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -217.848169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.848169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.848169 (E_RNA)
where:
Base-Base interactions energy: -143.306
where: short stacking energy: -72.714
Base-Backbone interact. energy: 1.012
local terms energy: -75.553781
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -207.763918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.763918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.763918 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -52.775
Base-Backbone interact. energy: -0.177
local terms energy: -60.261895
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -146.530466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.530466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.530466 (E_RNA)
where:
Base-Base interactions energy: -86.424
where: short stacking energy: -40.720
Base-Backbone interact. energy: -0.779
local terms energy: -59.327108
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -9.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -135.865003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.865003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.865003 (E_RNA)
where:
Base-Base interactions energy: -66.131
where: short stacking energy: -44.867
Base-Backbone interact. energy: -0.083
local terms energy: -69.650925
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -94.256672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.256672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.256672 (E_RNA)
where:
Base-Base interactions energy: -43.296
where: short stacking energy: -41.506
Base-Backbone interact. energy: -0.206
local terms energy: -50.754183
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -0.055
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -95.936152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.936152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.936152 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -35.658
Base-Backbone interact. energy: -0.419
local terms energy: -48.279215
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -89.404782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.404782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.404782 (E_RNA)
where:
Base-Base interactions energy: -38.765
where: short stacking energy: -37.027
Base-Backbone interact. energy: -0.853
local terms energy: -49.786467
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -5.468
flat angles P-C4'-P energy: -8.106
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: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -81.347740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.347740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.347740 (E_RNA)
where:
Base-Base interactions energy: -32.010
where: short stacking energy: -25.398
Base-Backbone interact. energy: -0.327
local terms energy: -49.010812
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -227.678134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.678134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.678134 (E_RNA)
where:
Base-Base interactions energy: -145.323
where: short stacking energy: -65.906
Base-Backbone interact. energy: -1.931
local terms energy: -80.424476
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -226.047829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.047829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.047829 (E_RNA)
where:
Base-Base interactions energy: -145.593
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.001
local terms energy: -80.453683
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -9.707
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: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -220.921270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.921270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.921270 (E_RNA)
where:
Base-Base interactions energy: -143.291
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.256
local terms energy: -77.373886
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -201.993461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.993461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.993461 (E_RNA)
where:
Base-Base interactions energy: -136.310
where: short stacking energy: -54.689
Base-Backbone interact. energy: -0.412
local terms energy: -65.271224
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -164.804489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.804489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.804489 (E_RNA)
where:
Base-Base interactions energy: -99.767
where: short stacking energy: -37.735
Base-Backbone interact. energy: -1.125
local terms energy: -63.912808
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -9.817
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: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -110.212137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.212137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.212137 (E_RNA)
where:
Base-Base interactions energy: -60.428
where: short stacking energy: -37.875
Base-Backbone interact. energy: -0.507
local terms energy: -49.277555
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -4.429
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: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -100.849045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.849045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.849045 (E_RNA)
where:
Base-Base interactions energy: -49.250
where: short stacking energy: -41.697
Base-Backbone interact. energy: -0.089
local terms energy: -51.509599
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -7.180
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: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -91.652634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.652634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.652634 (E_RNA)
where:
Base-Base interactions energy: -43.395
where: short stacking energy: -42.903
Base-Backbone interact. energy: -0.095
local terms energy: -48.162994
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -81.742976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.742976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.742976 (E_RNA)
where:
Base-Base interactions energy: -28.484
where: short stacking energy: -28.025
Base-Backbone interact. energy: -0.226
local terms energy: -53.033380
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -77.369937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.369937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.369937 (E_RNA)
where:
Base-Base interactions energy: -30.236
where: short stacking energy: -27.740
Base-Backbone interact. energy: -0.056
local terms energy: -47.078021
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -224.009628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.009628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.009628 (E_RNA)
where:
Base-Base interactions energy: -145.851
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.028
local terms energy: -78.131520
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -8.892
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: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -226.981991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.981991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.981991 (E_RNA)
where:
Base-Base interactions energy: -147.007
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.001
local terms energy: -79.973801
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -219.181757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.181757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.181757 (E_RNA)
where:
Base-Base interactions energy: -152.117
where: short stacking energy: -64.087
Base-Backbone interact. energy: -0.415
local terms energy: -66.648923
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -10.131
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: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -211.760286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.760286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.760286 (E_RNA)
where:
Base-Base interactions energy: -137.782
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.007
local terms energy: -73.971062
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -20.856
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: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -173.057990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.057990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.057990 (E_RNA)
where:
Base-Base interactions energy: -109.186
where: short stacking energy: -50.337
Base-Backbone interact. energy: 0.136
local terms energy: -64.007536
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -11.429
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: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -104.270333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.270333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.270333 (E_RNA)
where:
Base-Base interactions energy: -43.649
where: short stacking energy: -42.507
Base-Backbone interact. energy: -0.039
local terms energy: -60.582110
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -99.668377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.668377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.668377 (E_RNA)
where:
Base-Base interactions energy: -45.216
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.458
local terms energy: -53.994399
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -87.272745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.272745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.272745 (E_RNA)
where:
Base-Base interactions energy: -36.389
where: short stacking energy: -28.922
Base-Backbone interact. energy: -0.053
local terms energy: -50.831431
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -76.737699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.737699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.737699 (E_RNA)
where:
Base-Base interactions energy: -26.934
where: short stacking energy: -19.365
Base-Backbone interact. energy: -0.234
local terms energy: -49.569436
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -6.555
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: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -74.779965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.779965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.779965 (E_RNA)
where:
Base-Base interactions energy: -30.208
where: short stacking energy: -26.536
Base-Backbone interact. energy: -0.183
local terms energy: -44.389267
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: 1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -222.370490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.370490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.370490 (E_RNA)
where:
Base-Base interactions energy: -142.815
where: short stacking energy: -70.259
Base-Backbone interact. energy: -1.340
local terms energy: -78.215053
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -11.353
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: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -222.660532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.660532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.660532 (E_RNA)
where:
Base-Base interactions energy: -150.464
where: short stacking energy: -56.115
Base-Backbone interact. energy: -0.561
local terms energy: -71.636226
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -221.329889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.329889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.329889 (E_RNA)
where:
Base-Base interactions energy: -147.479
where: short stacking energy: -72.074
Base-Backbone interact. energy: -0.001
local terms energy: -73.850641
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -208.394361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.394361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.394361 (E_RNA)
where:
Base-Base interactions energy: -133.859
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.002
local terms energy: -74.533583
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -160.590338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.590338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.590338 (E_RNA)
where:
Base-Base interactions energy: -96.654
where: short stacking energy: -44.927
Base-Backbone interact. energy: -0.456
local terms energy: -63.480737
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -9.260
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: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -123.819087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.819087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.819087 (E_RNA)
where:
Base-Base interactions energy: -64.815
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.360
local terms energy: -58.644180
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -91.385334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.385334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.385334 (E_RNA)
where:
Base-Base interactions energy: -48.772
where: short stacking energy: -30.680
Base-Backbone interact. energy: -0.147
local terms energy: -42.465896
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -6.702
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -79.674503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.674503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.674503 (E_RNA)
where:
Base-Base interactions energy: -31.345
where: short stacking energy: -20.424
Base-Backbone interact. energy: -0.760
local terms energy: -47.569410
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: 0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -79.332419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.332419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.332419 (E_RNA)
where:
Base-Base interactions energy: -33.401
where: short stacking energy: -29.009
Base-Backbone interact. energy: 0.174
local terms energy: -46.106237
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -77.410903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.410903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.410903 (E_RNA)
where:
Base-Base interactions energy: -31.601
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.352
local terms energy: -45.457613
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -231.620459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.620459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.620459 (E_RNA)
where:
Base-Base interactions energy: -160.459
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.029
local terms energy: -71.132655
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -219.093178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.093178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.093178 (E_RNA)
where:
Base-Base interactions energy: -142.906
where: short stacking energy: -67.245
Base-Backbone interact. energy: -0.421
local terms energy: -75.766288
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -216.333058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.333058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.333058 (E_RNA)
where:
Base-Base interactions energy: -141.608
where: short stacking energy: -58.331
Base-Backbone interact. energy: -0.814
local terms energy: -73.910668
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -208.739993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.739993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.739993 (E_RNA)
where:
Base-Base interactions energy: -133.139
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.570
local terms energy: -75.031090
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -172.762675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.762675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.762675 (E_RNA)
where:
Base-Base interactions energy: -111.232
where: short stacking energy: -59.558
Base-Backbone interact. energy: -0.023
local terms energy: -61.508232
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -122.637933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.637933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.637933 (E_RNA)
where:
Base-Base interactions energy: -68.713
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.176
local terms energy: -53.748888
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -3.177
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: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -101.126041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.126041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.126041 (E_RNA)
where:
Base-Base interactions energy: -45.182
where: short stacking energy: -41.093
Base-Backbone interact. energy: -0.101
local terms energy: -55.843128
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -79.126605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.126605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.126605 (E_RNA)
where:
Base-Base interactions energy: -31.306
where: short stacking energy: -31.306
Base-Backbone interact. energy: -0.119
local terms energy: -47.701372
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -9.364
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -87.039607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.039607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.039607 (E_RNA)
where:
Base-Base interactions energy: -36.593
where: short stacking energy: -36.693
Base-Backbone interact. energy: -0.253
local terms energy: -50.194450
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -83.065528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.065528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.065528 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.192
local terms energy: -55.086364
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -223.867195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.867195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.867195 (E_RNA)
where:
Base-Base interactions energy: -155.033
where: short stacking energy: -67.861
Base-Backbone interact. energy: -0.059
local terms energy: -68.775898
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -214.049214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.049214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.049214 (E_RNA)
where:
Base-Base interactions energy: -134.020
where: short stacking energy: -68.707
Base-Backbone interact. energy: -0.028
local terms energy: -80.001188
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -12.297
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: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -212.372269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.372269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.372269 (E_RNA)
where:
Base-Base interactions energy: -133.418
where: short stacking energy: -57.612
Base-Backbone interact. energy: -1.320
local terms energy: -77.634275
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -203.437580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.437580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.437580 (E_RNA)
where:
Base-Base interactions energy: -135.282
where: short stacking energy: -50.173
Base-Backbone interact. energy: -0.107
local terms energy: -68.049299
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -167.932204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.932204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.932204 (E_RNA)
where:
Base-Base interactions energy: -109.126
where: short stacking energy: -52.813
Base-Backbone interact. energy: -1.911
local terms energy: -56.894465
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -6.405
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: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -104.951506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.951506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.951506 (E_RNA)
where:
Base-Base interactions energy: -45.340
where: short stacking energy: -36.732
Base-Backbone interact. energy: -0.620
local terms energy: -58.991392
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -77.569631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.569631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.569631 (E_RNA)
where:
Base-Base interactions energy: -30.259
where: short stacking energy: -18.971
Base-Backbone interact. energy: -0.106
local terms energy: -47.204190
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -8.026
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: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -82.764051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.764051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.764051 (E_RNA)
where:
Base-Base interactions energy: -38.815
where: short stacking energy: -37.103
Base-Backbone interact. energy: 0.406
local terms energy: -44.354639
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -2.732
tors. eta vs tors. theta energy: -3.676
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: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -83.297527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.297527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.297527 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -27.353
Base-Backbone interact. energy: -0.137
local terms energy: -51.586116
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -78.436166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.436166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.436166 (E_RNA)
where:
Base-Base interactions energy: -34.373
where: short stacking energy: -34.253
Base-Backbone interact. energy: -1.444
local terms energy: -42.619486
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -8.629
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -223.589227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.589227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.589227 (E_RNA)
where:
Base-Base interactions energy: -148.641
where: short stacking energy: -47.620
Base-Backbone interact. energy: -0.550
local terms energy: -74.398442
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -209.217974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.217974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.217974 (E_RNA)
where:
Base-Base interactions energy: -143.458
where: short stacking energy: -63.337
Base-Backbone interact. energy: -0.050
local terms energy: -65.709867
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -220.992731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.992731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.992731 (E_RNA)
where:
Base-Base interactions energy: -143.450
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.146
local terms energy: -77.397396
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -195.033236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.033236 (E_RNA)
where:
Base-Base interactions energy: -136.328
where: short stacking energy: -49.992
Base-Backbone interact. energy: -2.146
local terms energy: -56.558519
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.148
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: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -173.313916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.313916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.313916 (E_RNA)
where:
Base-Base interactions energy: -108.223
where: short stacking energy: -56.030
Base-Backbone interact. energy: -0.763
local terms energy: -64.328303
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -7.518
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: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -102.836405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.836405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.836405 (E_RNA)
where:
Base-Base interactions energy: -52.656
where: short stacking energy: -49.897
Base-Backbone interact. energy: -0.007
local terms energy: -50.173588
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -2.170
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -98.927526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.927526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.927526 (E_RNA)
where:
Base-Base interactions energy: -45.796
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.069
local terms energy: -53.062707
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -81.170825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.170825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.170825 (E_RNA)
where:
Base-Base interactions energy: -43.033
where: short stacking energy: -34.463
Base-Backbone interact. energy: 0.302
local terms energy: -38.440552
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -7.282
flat angles P-C4'-P energy: -5.594
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: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -88.470901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.470901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.470901 (E_RNA)
where:
Base-Base interactions energy: -41.394
where: short stacking energy: -23.148
Base-Backbone interact. energy: -0.965
local terms energy: -46.112258
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: 4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -77.262383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.262383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.262383 (E_RNA)
where:
Base-Base interactions energy: -40.014
where: short stacking energy: -29.333
Base-Backbone interact. energy: -0.554
local terms energy: -36.694582
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -2.767
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -228.206498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.206498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.206498 (E_RNA)
where:
Base-Base interactions energy: -158.531
where: short stacking energy: -57.779
Base-Backbone interact. energy: -1.388
local terms energy: -68.287298
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -222.527319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.527319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.527319 (E_RNA)
where:
Base-Base interactions energy: -142.163
where: short stacking energy: -70.787
Base-Backbone interact. energy: -0.771
local terms energy: -79.593568
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -213.165639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.165639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.165639 (E_RNA)
where:
Base-Base interactions energy: -150.478
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.156
local terms energy: -62.531747
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -11.994
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: 93
Temperature: 1.050000
Total energy: -208.232111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.232111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.232111 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -53.725
Base-Backbone interact. energy: -1.045
local terms energy: -64.817856
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.214
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: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -174.225061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.225061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.225061 (E_RNA)
where:
Base-Base interactions energy: -110.065
where: short stacking energy: -51.057
Base-Backbone interact. energy: -0.309
local terms energy: -63.850651
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -8.069
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: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -103.703019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.703019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.703019 (E_RNA)
where:
Base-Base interactions energy: -51.971
where: short stacking energy: -33.670
Base-Backbone interact. energy: -0.233
local terms energy: -51.498507
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -93.583208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.583208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.583208 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -37.913
Base-Backbone interact. energy: -0.027
local terms energy: -53.449247
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -81.697296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.697296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.697296 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -30.807
Base-Backbone interact. energy: -0.206
local terms energy: -49.654765
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -82.788699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.788699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.788699 (E_RNA)
where:
Base-Base interactions energy: -34.346
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.249
local terms energy: -48.193767
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -76.446306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.446306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.446306 (E_RNA)
where:
Base-Base interactions energy: -23.056
where: short stacking energy: -21.963
Base-Backbone interact. energy: -0.301
local terms energy: -53.089225
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -218.372705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.372705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.372705 (E_RNA)
where:
Base-Base interactions energy: -141.368
where: short stacking energy: -67.432
Base-Backbone interact. energy: -0.706
local terms energy: -76.298521
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -19.586
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: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -221.096099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.096099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.096099 (E_RNA)
where:
Base-Base interactions energy: -145.906
where: short stacking energy: -58.953
Base-Backbone interact. energy: -0.270
local terms energy: -74.920032
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -11.529
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: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -212.203794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.203794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.203794 (E_RNA)
where:
Base-Base interactions energy: -138.187
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.644
local terms energy: -73.373592
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -204.791353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.791353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791353 (E_RNA)
where:
Base-Base interactions energy: -144.564
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.955
local terms energy: -59.272609
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -15.725
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: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -157.176259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.176259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.176259 (E_RNA)
where:
Base-Base interactions energy: -100.903
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.002
local terms energy: -56.270508
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -6.011
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -95.502298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.502298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.502298 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.023
local terms energy: -62.568516
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -95.300615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.300615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.300615 (E_RNA)
where:
Base-Base interactions energy: -33.659
where: short stacking energy: -33.659
Base-Backbone interact. energy: -0.759
local terms energy: -60.882419
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -83.960035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.960035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.960035 (E_RNA)
where:
Base-Base interactions energy: -39.534
where: short stacking energy: -37.433
Base-Backbone interact. energy: 1.333
local terms energy: -45.759146
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -95.582264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.582264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.582264 (E_RNA)
where:
Base-Base interactions energy: -40.342
where: short stacking energy: -30.006
Base-Backbone interact. energy: 1.774
local terms energy: -57.015169
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -6.723
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: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -82.064177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.064177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.064177 (E_RNA)
where:
Base-Base interactions energy: -33.517
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.135
local terms energy: -48.412455
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -210.591701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.591701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.591701 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -51.000
Base-Backbone interact. energy: -0.047
local terms energy: -68.430407
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -14.654
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: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -228.766262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.766262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.766262 (E_RNA)
where:
Base-Base interactions energy: -151.665
where: short stacking energy: -73.353
Base-Backbone interact. energy: -0.008
local terms energy: -77.093436
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -9.441
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: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -216.849015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.849015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.849015 (E_RNA)
where:
Base-Base interactions energy: -152.085
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.034
local terms energy: -64.729760
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -175.073259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.073259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.073259 (E_RNA)
where:
Base-Base interactions energy: -101.276
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.128
local terms energy: -73.669604
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -211.864695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.864695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.864695 (E_RNA)
where:
Base-Base interactions energy: -133.099
where: short stacking energy: -61.325
Base-Backbone interact. energy: -1.116
local terms energy: -77.649220
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -14.402
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: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -102.730289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.730289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.730289 (E_RNA)
where:
Base-Base interactions energy: -45.329
where: short stacking energy: -27.836
Base-Backbone interact. energy: 0.247
local terms energy: -57.648398
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -92.601506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.601506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.601506 (E_RNA)
where:
Base-Base interactions energy: -39.844
where: short stacking energy: -28.814
Base-Backbone interact. energy: -0.148
local terms energy: -52.609583
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -9.715
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: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -110.898997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.898997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.898997 (E_RNA)
where:
Base-Base interactions energy: -56.757
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.110
local terms energy: -54.032601
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -13.218
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: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -77.331702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.331702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.331702 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -23.017
Base-Backbone interact. energy: -0.044
local terms energy: -45.752074
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -87.280283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.280283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.280283 (E_RNA)
where:
Base-Base interactions energy: -42.144
where: short stacking energy: -42.144
Base-Backbone interact. energy: 0.654
local terms energy: -45.791213
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -227.669680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.669680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.669680 (E_RNA)
where:
Base-Base interactions energy: -155.714
where: short stacking energy: -61.584
Base-Backbone interact. energy: -1.084
local terms energy: -70.872247
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -210.975679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.975679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.975679 (E_RNA)
where:
Base-Base interactions energy: -140.063
where: short stacking energy: -41.502
Base-Backbone interact. energy: -2.621
local terms energy: -68.291734
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -217.864276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.864276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.864276 (E_RNA)
where:
Base-Base interactions energy: -151.943
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.512
local terms energy: -65.409371
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -19.972
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: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -183.197338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.197338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.197338 (E_RNA)
where:
Base-Base interactions energy: -114.065
where: short stacking energy: -62.539
Base-Backbone interact. energy: -0.212
local terms energy: -68.920143
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -209.621302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.621302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.621302 (E_RNA)
where:
Base-Base interactions energy: -137.234
where: short stacking energy: -61.748
Base-Backbone interact. energy: 0.257
local terms energy: -72.644744
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -11.144
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: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -120.648277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.648277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.648277 (E_RNA)
where:
Base-Base interactions energy: -59.299
where: short stacking energy: -34.238
Base-Backbone interact. energy: -0.360
local terms energy: -60.989426
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -94.263461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.263461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.263461 (E_RNA)
where:
Base-Base interactions energy: -47.109
where: short stacking energy: -27.629
Base-Backbone interact. energy: -0.140
local terms energy: -47.014372
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -77.696204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.696204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.696204 (E_RNA)
where:
Base-Base interactions energy: -30.251
where: short stacking energy: -24.005
Base-Backbone interact. energy: 0.426
local terms energy: -47.871484
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: 0.291
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: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -84.623562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.623562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.623562 (E_RNA)
where:
Base-Base interactions energy: -37.299
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.004
local terms energy: -47.320854
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -5.586
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -84.161805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.161805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.161805 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -29.061
Base-Backbone interact. energy: -0.555
local terms energy: -49.334857
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -6.579
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -227.960653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.960653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.960653 (E_RNA)
where:
Base-Base interactions energy: -154.807
where: short stacking energy: -70.086
Base-Backbone interact. energy: -0.037
local terms energy: -73.116537
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -222.042382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.042382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.042382 (E_RNA)
where:
Base-Base interactions energy: -148.089
where: short stacking energy: -73.028
Base-Backbone interact. energy: -0.091
local terms energy: -73.862588
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -208.615049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.615049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.615049 (E_RNA)
where:
Base-Base interactions energy: -140.759
where: short stacking energy: -59.853
Base-Backbone interact. energy: -0.522
local terms energy: -67.334446
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -212.913812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.913812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.913812 (E_RNA)
where:
Base-Base interactions energy: -135.309
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.117
local terms energy: -77.487400
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -177.374603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.374603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.374603 (E_RNA)
where:
Base-Base interactions energy: -107.996
where: short stacking energy: -62.106
Base-Backbone interact. energy: 0.296
local terms energy: -69.674753
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -93.573757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.573757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.573757 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -33.026
Base-Backbone interact. energy: -0.144
local terms energy: -56.044398
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -10.759
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: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -101.056735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.056735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.056735 (E_RNA)
where:
Base-Base interactions energy: -45.183
where: short stacking energy: -45.183
Base-Backbone interact. energy: -0.105
local terms energy: -55.768717
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -89.393905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.393905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.393905 (E_RNA)
where:
Base-Base interactions energy: -28.678
where: short stacking energy: -28.678
Base-Backbone interact. energy: -0.106
local terms energy: -60.610051
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -86.118446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.118446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.118446 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.449
local terms energy: -48.695201
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -6.267
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: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -83.282016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.282016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.282016 (E_RNA)
where:
Base-Base interactions energy: -31.712
where: short stacking energy: -31.712
Base-Backbone interact. energy: 0.241
local terms energy: -51.810204
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -236.647694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.647694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.647694 (E_RNA)
where:
Base-Base interactions energy: -154.387
where: short stacking energy: -74.033
Base-Backbone interact. energy: -1.294
local terms energy: -80.966608
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -230.113814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.113814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.113814 (E_RNA)
where:
Base-Base interactions energy: -152.689
where: short stacking energy: -67.542
Base-Backbone interact. energy: -0.362
local terms energy: -77.062669
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -218.452998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.452998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.452998 (E_RNA)
where:
Base-Base interactions energy: -146.878
where: short stacking energy: -57.317
Base-Backbone interact. energy: -1.049
local terms energy: -70.526232
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -212.723215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.723215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.723215 (E_RNA)
where:
Base-Base interactions energy: -136.821
where: short stacking energy: -67.132
Base-Backbone interact. energy: -0.091
local terms energy: -75.811453
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -179.626248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.626248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.626248 (E_RNA)
where:
Base-Base interactions energy: -107.359
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.011
local terms energy: -72.255943
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -12.529
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: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -94.694484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.694484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.694484 (E_RNA)
where:
Base-Base interactions energy: -40.817
where: short stacking energy: -40.817
Base-Backbone interact. energy: -0.131
local terms energy: -53.746869
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -93.977150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.977150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.977150 (E_RNA)
where:
Base-Base interactions energy: -47.449
where: short stacking energy: -22.519
Base-Backbone interact. energy: -1.046
local terms energy: -45.481707
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -96.367560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.367560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.367560 (E_RNA)
where:
Base-Base interactions energy: -46.262
where: short stacking energy: -31.613
Base-Backbone interact. energy: -0.004
local terms energy: -50.100846
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -7.726
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -98.068989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068989 (E_RNA)
where:
Base-Base interactions energy: -54.052
where: short stacking energy: -37.153
Base-Backbone interact. energy: -1.098
local terms energy: -42.918592
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -7.691
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: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -78.239286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.239286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.239286 (E_RNA)
where:
Base-Base interactions energy: -29.751
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.236
local terms energy: -48.252960
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -1.260
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: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -220.615678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.615678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.615678 (E_RNA)
where:
Base-Base interactions energy: -140.125
where: short stacking energy: -69.508
Base-Backbone interact. energy: -0.000
local terms energy: -80.490179
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -224.424208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.424208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.424208 (E_RNA)
where:
Base-Base interactions energy: -154.404
where: short stacking energy: -66.679
Base-Backbone interact. energy: 0.203
local terms energy: -70.223334
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -218.064737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.064737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.064737 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -61.967
Base-Backbone interact. energy: -0.163
local terms energy: -72.778844
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -19.742
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: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -202.049912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.049912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.049912 (E_RNA)
where:
Base-Base interactions energy: -134.211
where: short stacking energy: -61.504
Base-Backbone interact. energy: -0.011
local terms energy: -67.828135
where:
bonds (distance) C4'-P energy: -7.056
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -21.916
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: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -158.478827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.478827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.478827 (E_RNA)
where:
Base-Base interactions energy: -92.103
where: short stacking energy: -52.043
Base-Backbone interact. energy: -0.119
local terms energy: -66.256704
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -89.562400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.562400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.562400 (E_RNA)
where:
Base-Base interactions energy: -31.461
where: short stacking energy: -31.004
Base-Backbone interact. energy: -0.997
local terms energy: -57.103885
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -103.379421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.379421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.379421 (E_RNA)
where:
Base-Base interactions energy: -42.987
where: short stacking energy: -42.987
Base-Backbone interact. energy: 0.272
local terms energy: -60.664231
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -8.841
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: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -87.660469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.660469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.660469 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.087
local terms energy: -55.312400
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -3.615
tors. eta vs tors. theta energy: -7.792
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: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -93.548255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.548255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.548255 (E_RNA)
where:
Base-Base interactions energy: -49.352
where: short stacking energy: -36.977
Base-Backbone interact. energy: -0.279
local terms energy: -43.917123
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -7.653
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -76.391738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.391738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.391738 (E_RNA)
where:
Base-Base interactions energy: -29.043
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.220
local terms energy: -47.128964
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -224.095607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.095607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.095607 (E_RNA)
where:
Base-Base interactions energy: -157.591
where: short stacking energy: -59.584
Base-Backbone interact. energy: -0.681
local terms energy: -65.824039
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -227.489828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.489828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.489828 (E_RNA)
where:
Base-Base interactions energy: -153.252
where: short stacking energy: -65.713
Base-Backbone interact. energy: -0.905
local terms energy: -73.332731
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -214.162180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.162180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.162180 (E_RNA)
where:
Base-Base interactions energy: -143.141
where: short stacking energy: -63.743
Base-Backbone interact. energy: -0.004
local terms energy: -71.016858
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -210.025530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.025530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.025530 (E_RNA)
where:
Base-Base interactions energy: -142.345
where: short stacking energy: -62.661
Base-Backbone interact. energy: -1.619
local terms energy: -66.061759
where:
bonds (distance) C4'-P energy: -6.577
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -172.919855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.919855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.919855 (E_RNA)
where:
Base-Base interactions energy: -110.160
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.007
local terms energy: -62.753331
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -6.514
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -107.005451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.005451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.005451 (E_RNA)
where:
Base-Base interactions energy: -53.254
where: short stacking energy: -45.407
Base-Backbone interact. energy: -0.575
local terms energy: -53.176707
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -115.672633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.672633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.672633 (E_RNA)
where:
Base-Base interactions energy: -57.519
where: short stacking energy: -46.795
Base-Backbone interact. energy: -1.136
local terms energy: -57.017522
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -8.704
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: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -108.417592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.417592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.417592 (E_RNA)
where:
Base-Base interactions energy: -46.957
where: short stacking energy: -45.387
Base-Backbone interact. energy: 0.571
local terms energy: -62.031773
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -12.745
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: 100
Temperature: 1.300000
Total energy: -87.383310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.383310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.383310 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -33.059
Base-Backbone interact. energy: -0.145
local terms energy: -47.508201
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -4.316
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -92.937076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.937076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.937076 (E_RNA)
where:
Base-Base interactions energy: -40.796
where: short stacking energy: -40.796
Base-Backbone interact. energy: -0.001
local terms energy: -52.140703
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -6.011
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: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -226.204404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.204404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.204404 (E_RNA)
where:
Base-Base interactions energy: -154.646
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.287
local terms energy: -71.271883
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -215.049775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.049775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.049775 (E_RNA)
where:
Base-Base interactions energy: -137.801
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.839
local terms energy: -76.409478
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -216.573979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.573979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.573979 (E_RNA)
where:
Base-Base interactions energy: -150.095
where: short stacking energy: -58.447
Base-Backbone interact. energy: -1.968
local terms energy: -64.510094
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -9.509
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -207.473249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.473249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.473249 (E_RNA)
where:
Base-Base interactions energy: -130.261
where: short stacking energy: -60.255
Base-Backbone interact. energy: -0.077
local terms energy: -77.135449
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -163.621167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.621167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.621167 (E_RNA)
where:
Base-Base interactions energy: -98.056
where: short stacking energy: -54.430
Base-Backbone interact. energy: -0.085
local terms energy: -65.480319
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -100.823281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.823281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.823281 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -36.601
Base-Backbone interact. energy: -0.019
local terms energy: -64.203431
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -90.890811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.890811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.890811 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -21.687
Base-Backbone interact. energy: -0.143
local terms energy: -50.075363
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -2.875
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: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -82.395080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.395080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.395080 (E_RNA)
where:
Base-Base interactions energy: -26.807
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.256
local terms energy: -55.332028
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.172
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: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -75.129194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.129194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.129194 (E_RNA)
where:
Base-Base interactions energy: -29.756
where: short stacking energy: -29.756
Base-Backbone interact. energy: -0.007
local terms energy: -45.366601
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -7.260
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -82.671103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.671103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.671103 (E_RNA)
where:
Base-Base interactions energy: -32.284
where: short stacking energy: -31.941
Base-Backbone interact. energy: 2.888
local terms energy: -53.274792
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -222.635152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.635152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.635152 (E_RNA)
where:
Base-Base interactions energy: -151.561
where: short stacking energy: -73.681
Base-Backbone interact. energy: -0.003
local terms energy: -71.070710
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -10.031
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: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -216.363604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.363604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.363604 (E_RNA)
where:
Base-Base interactions energy: -148.075
where: short stacking energy: -55.798
Base-Backbone interact. energy: -0.513
local terms energy: -67.775711
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.159
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: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -221.395306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.395306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.395306 (E_RNA)
where:
Base-Base interactions energy: -151.686
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.929
local terms energy: -68.780447
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -205.280118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.280118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.280118 (E_RNA)
where:
Base-Base interactions energy: -135.761
where: short stacking energy: -53.621
Base-Backbone interact. energy: -1.214
local terms energy: -68.305220
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -173.940555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.940555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.940555 (E_RNA)
where:
Base-Base interactions energy: -115.615
where: short stacking energy: -57.380
Base-Backbone interact. energy: -0.196
local terms energy: -58.129086
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -105.263399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.263399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.263399 (E_RNA)
where:
Base-Base interactions energy: -50.104
where: short stacking energy: -41.522
Base-Backbone interact. energy: -0.032
local terms energy: -55.127278
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -7.622
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: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -83.697317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.697317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.697317 (E_RNA)
where:
Base-Base interactions energy: -31.698
where: short stacking energy: -21.062
Base-Backbone interact. energy: 0.485
local terms energy: -52.484252
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -84.771837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.771837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.771837 (E_RNA)
where:
Base-Base interactions energy: -26.469
where: short stacking energy: -22.253
Base-Backbone interact. energy: -0.380
local terms energy: -57.923437
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -7.550
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: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -83.101857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.101857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.101857 (E_RNA)
where:
Base-Base interactions energy: -32.594
where: short stacking energy: -32.594
Base-Backbone interact. energy: -0.101
local terms energy: -50.406856
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -81.199743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.199743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.199743 (E_RNA)
where:
Base-Base interactions energy: -33.668
where: short stacking energy: -18.390
Base-Backbone interact. energy: -0.087
local terms energy: -47.445007
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -229.567764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.567764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.567764 (E_RNA)
where:
Base-Base interactions energy: -150.507
where: short stacking energy: -71.403
Base-Backbone interact. energy: -0.043
local terms energy: -79.018391
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -204.396853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.396853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.396853 (E_RNA)
where:
Base-Base interactions energy: -138.025
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.331
local terms energy: -66.040298
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -222.841339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.841339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.841339 (E_RNA)
where:
Base-Base interactions energy: -144.757
where: short stacking energy: -75.531
Base-Backbone interact. energy: -0.047
local terms energy: -78.036909
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -172.989735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.989735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.989735 (E_RNA)
where:
Base-Base interactions energy: -110.069
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.502
local terms energy: -62.418946
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -5.708
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: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -206.413014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.413014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.413014 (E_RNA)
where:
Base-Base interactions energy: -133.774
where: short stacking energy: -54.118
Base-Backbone interact. energy: -0.145
local terms energy: -72.493985
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -101.473773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.473773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.473773 (E_RNA)
where:
Base-Base interactions energy: -58.575
where: short stacking energy: -38.024
Base-Backbone interact. energy: 0.343
local terms energy: -43.241313
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -90.271222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.271222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.271222 (E_RNA)
where:
Base-Base interactions energy: -34.325
where: short stacking energy: -34.325
Base-Backbone interact. energy: -0.058
local terms energy: -55.888576
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: 0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -112.988206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.988206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.988206 (E_RNA)
where:
Base-Base interactions energy: -61.543
where: short stacking energy: -45.272
Base-Backbone interact. energy: -0.118
local terms energy: -51.326900
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -83.080907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.080907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.080907 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -24.989
Base-Backbone interact. energy: -0.115
local terms energy: -45.228244
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -2.097
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: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -82.537975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.537975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.537975 (E_RNA)
where:
Base-Base interactions energy: -29.483
where: short stacking energy: -26.722
Base-Backbone interact. energy: -0.020
local terms energy: -53.034713
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -217.247794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.247794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.247794 (E_RNA)
where:
Base-Base interactions energy: -150.404
where: short stacking energy: -60.625
Base-Backbone interact. energy: -0.048
local terms energy: -66.795882
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -222.156785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.156785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.156785 (E_RNA)
where:
Base-Base interactions energy: -146.339
where: short stacking energy: -72.444
Base-Backbone interact. energy: 0.378
local terms energy: -76.195610
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -216.483883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.483883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.483883 (E_RNA)
where:
Base-Base interactions energy: -147.794
where: short stacking energy: -65.238
Base-Backbone interact. energy: -0.040
local terms energy: -68.649853
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -167.537980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.537980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.537980 (E_RNA)
where:
Base-Base interactions energy: -105.641
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.195
local terms energy: -61.702255
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -186.101006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.101006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.101006 (E_RNA)
where:
Base-Base interactions energy: -125.754
where: short stacking energy: -55.048
Base-Backbone interact. energy: -0.028
local terms energy: -60.319122
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -114.839378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.839378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.839378 (E_RNA)
where:
Base-Base interactions energy: -49.822
where: short stacking energy: -49.822
Base-Backbone interact. energy: -0.037
local terms energy: -64.980854
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -95.313961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.313961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.313961 (E_RNA)
where:
Base-Base interactions energy: -47.900
where: short stacking energy: -38.484
Base-Backbone interact. energy: -0.427
local terms energy: -46.986701
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -101.596546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.596546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.596546 (E_RNA)
where:
Base-Base interactions energy: -39.593
where: short stacking energy: -37.969
Base-Backbone interact. energy: -0.099
local terms energy: -61.904792
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -91.367597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.367597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.367597 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -34.788
Base-Backbone interact. energy: -0.063
local terms energy: -51.011432
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -1.675
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -79.836125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.836125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.836125 (E_RNA)
where:
Base-Base interactions energy: -24.610
where: short stacking energy: -24.486
Base-Backbone interact. energy: -0.009
local terms energy: -55.217346
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -7.993
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -224.692173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.692173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.692173 (E_RNA)
where:
Base-Base interactions energy: -155.045
where: short stacking energy: -61.955
Base-Backbone interact. energy: -0.355
local terms energy: -69.292154
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -220.307852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.307852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.307852 (E_RNA)
where:
Base-Base interactions energy: -144.788
where: short stacking energy: -69.858
Base-Backbone interact. energy: -0.910
local terms energy: -74.609849
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -8.955
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: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -222.730255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.730255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.730255 (E_RNA)
where:
Base-Base interactions energy: -142.655
where: short stacking energy: -73.687
Base-Backbone interact. energy: -0.019
local terms energy: -80.056067
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -197.040759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.040759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.040759 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.039
local terms energy: -66.993618
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -7.771
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: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -160.246652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.246652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.246652 (E_RNA)
where:
Base-Base interactions energy: -98.414
where: short stacking energy: -49.672
Base-Backbone interact. energy: -1.527
local terms energy: -60.305634
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -101.740093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.740093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.740093 (E_RNA)
where:
Base-Base interactions energy: -37.394
where: short stacking energy: -37.165
Base-Backbone interact. energy: -0.010
local terms energy: -64.335633
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -102.954188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.954188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.954188 (E_RNA)
where:
Base-Base interactions energy: -51.014
where: short stacking energy: -36.684
Base-Backbone interact. energy: -0.036
local terms energy: -51.904063
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -2.616
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -86.165923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.165923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.165923 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -29.716
Base-Backbone interact. energy: -0.049
local terms energy: -47.115701
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: 1.424
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: 105
Temperature: 1.300000
Total energy: -80.646796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.646796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.646796 (E_RNA)
where:
Base-Base interactions energy: -35.659
where: short stacking energy: -35.659
Base-Backbone interact. energy: -0.017
local terms energy: -44.971079
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -0.204
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -76.736627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.736627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.736627 (E_RNA)
where:
Base-Base interactions energy: -28.032
where: short stacking energy: -18.119
Base-Backbone interact. energy: -0.924
local terms energy: -47.780758
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: 3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -222.293292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.293292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.293292 (E_RNA)
where:
Base-Base interactions energy: -142.672
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.024
local terms energy: -79.597127
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -22.376
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: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -224.100696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.100696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.100696 (E_RNA)
where:
Base-Base interactions energy: -141.968
where: short stacking energy: -65.508
Base-Backbone interact. energy: -0.216
local terms energy: -81.916857
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -10.894
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: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -205.114411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.114411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.114411 (E_RNA)
where:
Base-Base interactions energy: -137.198
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.013
local terms energy: -67.903069
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -199.479437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.479437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.479437 (E_RNA)
where:
Base-Base interactions energy: -129.436
where: short stacking energy: -64.689
Base-Backbone interact. energy: -0.109
local terms energy: -69.934565
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -13.859
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: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -107.205469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.205469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.205469 (E_RNA)
where:
Base-Base interactions energy: -42.833
where: short stacking energy: -42.833
Base-Backbone interact. energy: -0.167
local terms energy: -64.205405
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -152.520926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.520926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.520926 (E_RNA)
where:
Base-Base interactions energy: -86.889
where: short stacking energy: -44.175
Base-Backbone interact. energy: -0.196
local terms energy: -65.435187
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -12.130
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: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -94.446537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.446537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.446537 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -35.384
Base-Backbone interact. energy: -0.217
local terms energy: -56.840981
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -82.112401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.112401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.112401 (E_RNA)
where:
Base-Base interactions energy: -29.150
where: short stacking energy: -28.633
Base-Backbone interact. energy: -0.026
local terms energy: -52.937289
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -5.780
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: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -89.776814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.776814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.776814 (E_RNA)
where:
Base-Base interactions energy: -37.578
where: short stacking energy: -37.578
Base-Backbone interact. energy: -1.068
local terms energy: -51.130881
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -8.108
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -74.183145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.183145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.183145 (E_RNA)
where:
Base-Base interactions energy: -34.486
where: short stacking energy: -25.166
Base-Backbone interact. energy: 1.235
local terms energy: -40.932301
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: 4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -221.755338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.755338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.755338 (E_RNA)
where:
Base-Base interactions energy: -147.875
where: short stacking energy: -70.701
Base-Backbone interact. energy: -0.276
local terms energy: -73.604393
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -23.313
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: 107
Temperature: 0.950000
Total energy: -223.076222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.076222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.076222 (E_RNA)
where:
Base-Base interactions energy: -144.738
where: short stacking energy: -72.937
Base-Backbone interact. energy: -0.017
local terms energy: -78.321619
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -199.156617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.156617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.156617 (E_RNA)
where:
Base-Base interactions energy: -131.597
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.022
local terms energy: -67.537761
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -198.346559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.346559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.346559 (E_RNA)
where:
Base-Base interactions energy: -133.873
where: short stacking energy: -67.554
Base-Backbone interact. energy: -0.022
local terms energy: -64.451526
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -109.180252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.180252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.180252 (E_RNA)
where:
Base-Base interactions energy: -50.608
where: short stacking energy: -48.083
Base-Backbone interact. energy: -0.725
local terms energy: -57.846990
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -15.550
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: 107
Temperature: 1.150000
Total energy: -98.229190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.229190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.229190 (E_RNA)
where:
Base-Base interactions energy: -42.706
where: short stacking energy: -33.569
Base-Backbone interact. energy: -0.011
local terms energy: -55.512266
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -9.278
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: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -144.847848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.847848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.847848 (E_RNA)
where:
Base-Base interactions energy: -92.719
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.186
local terms energy: -51.942487
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -11.898
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: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -75.110586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.110586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.110586 (E_RNA)
where:
Base-Base interactions energy: -29.259
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.310
local terms energy: -45.541590
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: 1.282
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: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -93.251229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.251229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.251229 (E_RNA)
where:
Base-Base interactions energy: -43.396
where: short stacking energy: -30.842
Base-Backbone interact. energy: -0.151
local terms energy: -49.704167
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -71.236718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.236718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.236718 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -19.950
Base-Backbone interact. energy: -0.120
local terms energy: -36.080890
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: 2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -223.356457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.356457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.356457 (E_RNA)
where:
Base-Base interactions energy: -145.548
where: short stacking energy: -61.147
Base-Backbone interact. energy: -0.092
local terms energy: -77.716512
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -224.421398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.421398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.421398 (E_RNA)
where:
Base-Base interactions energy: -146.576
where: short stacking energy: -69.636
Base-Backbone interact. energy: -0.487
local terms energy: -77.357887
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -206.539832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.539832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.539832 (E_RNA)
where:
Base-Base interactions energy: -136.296
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.461
local terms energy: -69.782639
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -187.142744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.142744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.142744 (E_RNA)
where:
Base-Base interactions energy: -120.214
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.752
local terms energy: -66.176470
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -109.712647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.712647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.712647 (E_RNA)
where:
Base-Base interactions energy: -40.543
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.013
local terms energy: -69.156710
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -116.958514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.958514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.958514 (E_RNA)
where:
Base-Base interactions energy: -68.775
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.955
local terms energy: -47.228748
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -93.035972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.035972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.035972 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -31.620
Base-Backbone interact. energy: -0.154
local terms energy: -58.407172
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -7.003
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: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -147.852740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.852740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.852740 (E_RNA)
where:
Base-Base interactions energy: -93.526
where: short stacking energy: -45.509
Base-Backbone interact. energy: 1.634
local terms energy: -55.961219
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -75.283207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.283207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.283207 (E_RNA)
where:
Base-Base interactions energy: -27.813
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.079
local terms energy: -47.391523
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -74.112683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.112683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.112683 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -24.327
Base-Backbone interact. energy: 0.327
local terms energy: -47.636914
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -223.155142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.155142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.155142 (E_RNA)
where:
Base-Base interactions energy: -143.141
where: short stacking energy: -65.673
Base-Backbone interact. energy: -1.439
local terms energy: -78.574776
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -11.624
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: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -207.526244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.526244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.526244 (E_RNA)
where:
Base-Base interactions energy: -132.988
where: short stacking energy: -66.395
Base-Backbone interact. energy: -0.593
local terms energy: -73.944859
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -17.460
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: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -218.499667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.499667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.499667 (E_RNA)
where:
Base-Base interactions energy: -141.046
where: short stacking energy: -73.407
Base-Backbone interact. energy: 1.416
local terms energy: -78.869651
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -21.014
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: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -187.039669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.039669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.039669 (E_RNA)
where:
Base-Base interactions energy: -126.680
where: short stacking energy: -52.844
Base-Backbone interact. energy: 0.482
local terms energy: -60.841637
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -11.260
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: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -115.745425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.745425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.745425 (E_RNA)
where:
Base-Base interactions energy: -57.645
where: short stacking energy: -44.570
Base-Backbone interact. energy: -0.348
local terms energy: -57.752971
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -97.452564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.452564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.452564 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.074
local terms energy: -56.692112
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -99.633400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.633400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.633400 (E_RNA)
where:
Base-Base interactions energy: -46.902
where: short stacking energy: -45.894
Base-Backbone interact. energy: -0.237
local terms energy: -52.494491
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -7.065
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: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -135.550488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.550488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.550488 (E_RNA)
where:
Base-Base interactions energy: -86.149
where: short stacking energy: -37.072
Base-Backbone interact. energy: -0.926
local terms energy: -48.475621
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -2.933
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: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -85.353375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.353375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.353375 (E_RNA)
where:
Base-Base interactions energy: -37.831
where: short stacking energy: -37.033
Base-Backbone interact. energy: 0.586
local terms energy: -48.107659
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -80.196661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.196661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.196661 (E_RNA)
where:
Base-Base interactions energy: -33.463
where: short stacking energy: -21.881
Base-Backbone interact. energy: -0.280
local terms energy: -46.453928
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: 2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -229.812857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.812857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.812857 (E_RNA)
where:
Base-Base interactions energy: -159.662
where: short stacking energy: -67.879
Base-Backbone interact. energy: 0.071
local terms energy: -70.222053
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -22.052
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: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -199.901576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.901576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.901576 (E_RNA)
where:
Base-Base interactions energy: -132.365
where: short stacking energy: -61.677
Base-Backbone interact. energy: -0.001
local terms energy: -67.535163
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -18.781
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: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -213.833417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.833417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.833417 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -71.133
Base-Backbone interact. energy: -0.026
local terms energy: -77.896213
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -22.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -187.220810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.220810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.220810 (E_RNA)
where:
Base-Base interactions energy: -124.436
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.248
local terms energy: -62.536870
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.887
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: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -104.474624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.474624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.474624 (E_RNA)
where:
Base-Base interactions energy: -45.738
where: short stacking energy: -36.948
Base-Backbone interact. energy: -0.061
local terms energy: -58.676081
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -99.615619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.615619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.615619 (E_RNA)
where:
Base-Base interactions energy: -46.409
where: short stacking energy: -36.669
Base-Backbone interact. energy: -1.493
local terms energy: -51.714033
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -4.926
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: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -153.969707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.969707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.969707 (E_RNA)
where:
Base-Base interactions energy: -91.596
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.219
local terms energy: -62.154746
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -81.954002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.954002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.954002 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -36.056
Base-Backbone interact. energy: -0.012
local terms energy: -45.886292
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -1.538
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: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -76.405933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405933 (E_RNA)
where:
Base-Base interactions energy: -30.113
where: short stacking energy: -12.479
Base-Backbone interact. energy: -1.057
local terms energy: -45.236192
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: 5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -77.344626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.344626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.344626 (E_RNA)
where:
Base-Base interactions energy: -27.925
where: short stacking energy: -18.215
Base-Backbone interact. energy: -0.026
local terms energy: -49.393453
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -3.892
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -216.483386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.483386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.483386 (E_RNA)
where:
Base-Base interactions energy: -145.503
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.034
local terms energy: -70.945890
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -221.556199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.556199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.556199 (E_RNA)
where:
Base-Base interactions energy: -141.027
where: short stacking energy: -67.775
Base-Backbone interact. energy: -1.290
local terms energy: -79.239200
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -193.202490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.202490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.202490 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.202
local terms energy: -62.515263
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -194.005588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.005588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.005588 (E_RNA)
where:
Base-Base interactions energy: -124.725
where: short stacking energy: -59.163
Base-Backbone interact. energy: -0.371
local terms energy: -68.908969
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -143.960522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.960522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.960522 (E_RNA)
where:
Base-Base interactions energy: -78.734
where: short stacking energy: -52.633
Base-Backbone interact. energy: -0.066
local terms energy: -65.160723
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -159.315425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.315425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.315425 (E_RNA)
where:
Base-Base interactions energy: -96.155
where: short stacking energy: -52.284
Base-Backbone interact. energy: 0.698
local terms energy: -63.857929
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -99.463507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.463507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.463507 (E_RNA)
where:
Base-Base interactions energy: -39.652
where: short stacking energy: -24.474
Base-Backbone interact. energy: -0.329
local terms energy: -59.482935
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -127.903558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.903558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.903558 (E_RNA)
where:
Base-Base interactions energy: -78.414
where: short stacking energy: -42.002
Base-Backbone interact. energy: -0.037
local terms energy: -49.453042
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -3.762
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: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -78.621394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.621394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.621394 (E_RNA)
where:
Base-Base interactions energy: -37.749
where: short stacking energy: -37.749
Base-Backbone interact. energy: 0.560
local terms energy: -41.431892
where:
bonds (distance) C4'-P energy: -8.490
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -6.537
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: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -81.000490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.000490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.000490 (E_RNA)
where:
Base-Base interactions energy: -22.580
where: short stacking energy: -9.692
Base-Backbone interact. energy: -0.717
local terms energy: -57.703541
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: 3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -228.482542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.482542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.482542 (E_RNA)
where:
Base-Base interactions energy: -148.804
where: short stacking energy: -72.738
Base-Backbone interact. energy: -0.748
local terms energy: -78.930796
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -222.605363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.605363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.605363 (E_RNA)
where:
Base-Base interactions energy: -154.713
where: short stacking energy: -63.850
Base-Backbone interact. energy: -1.121
local terms energy: -66.770696
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -197.001479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.001479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.001479 (E_RNA)
where:
Base-Base interactions energy: -125.993
where: short stacking energy: -53.154
Base-Backbone interact. energy: -0.113
local terms energy: -70.895373
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -191.987499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.987499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.987499 (E_RNA)
where:
Base-Base interactions energy: -120.571
where: short stacking energy: -54.451
Base-Backbone interact. energy: -1.311
local terms energy: -70.105317
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -169.477875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.477875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.477875 (E_RNA)
where:
Base-Base interactions energy: -111.054
where: short stacking energy: -41.664
Base-Backbone interact. energy: -1.515
local terms energy: -56.909165
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -92.090477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.090477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.090477 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.249
local terms energy: -50.605980
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: 2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -148.809300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.809300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.809300 (E_RNA)
where:
Base-Base interactions energy: -94.215
where: short stacking energy: -40.399
Base-Backbone interact. energy: -0.292
local terms energy: -54.301683
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -104.688258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.688258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.688258 (E_RNA)
where:
Base-Base interactions energy: -49.113
where: short stacking energy: -29.063
Base-Backbone interact. energy: -0.215
local terms energy: -55.360992
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -0.284
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: 112
Temperature: 1.300000
Total energy: -80.411279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.411279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.411279 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.075
local terms energy: -45.594966
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: 3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -77.836037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.836037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.836037 (E_RNA)
where:
Base-Base interactions energy: -23.463
where: short stacking energy: -23.463
Base-Backbone interact. energy: -0.062
local terms energy: -54.310719
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -8.491
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: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -224.058853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.058853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.058853 (E_RNA)
where:
Base-Base interactions energy: -150.241
where: short stacking energy: -52.619
Base-Backbone interact. energy: -1.490
local terms energy: -72.328153
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -16.860
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: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -221.320758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.320758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.320758 (E_RNA)
where:
Base-Base interactions energy: -144.255
where: short stacking energy: -68.395
Base-Backbone interact. energy: -0.006
local terms energy: -77.059407
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -208.860986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.860986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.860986 (E_RNA)
where:
Base-Base interactions energy: -142.993
where: short stacking energy: -59.313
Base-Backbone interact. energy: -0.556
local terms energy: -65.312623
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -182.319017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.319017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.319017 (E_RNA)
where:
Base-Base interactions energy: -116.629
where: short stacking energy: -57.841
Base-Backbone interact. energy: -0.362
local terms energy: -65.327523
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -11.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -192.663963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.663963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.663963 (E_RNA)
where:
Base-Base interactions energy: -124.863
where: short stacking energy: -55.181
Base-Backbone interact. energy: -0.191
local terms energy: -67.609485
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -155.296860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.296860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.296860 (E_RNA)
where:
Base-Base interactions energy: -103.299
where: short stacking energy: -45.076
Base-Backbone interact. energy: -0.272
local terms energy: -51.725446
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -90.563813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.563813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.563813 (E_RNA)
where:
Base-Base interactions energy: -36.735
where: short stacking energy: -36.735
Base-Backbone interact. energy: 1.392
local terms energy: -55.220600
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -6.453
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: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -77.396968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.396968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.396968 (E_RNA)
where:
Base-Base interactions energy: -26.941
where: short stacking energy: -26.941
Base-Backbone interact. energy: -0.050
local terms energy: -50.405723
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: 1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -123.162110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.162110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.162110 (E_RNA)
where:
Base-Base interactions energy: -73.301
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.134
local terms energy: -49.727529
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -78.992675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.992675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.992675 (E_RNA)
where:
Base-Base interactions energy: -33.190
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.002
local terms energy: -45.800831
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -225.288858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.288858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.288858 (E_RNA)
where:
Base-Base interactions energy: -141.919
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.000
local terms energy: -83.369670
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -21.955
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: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -223.017642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.017642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.017642 (E_RNA)
where:
Base-Base interactions energy: -145.625
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.428
local terms energy: -76.964281
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -220.763049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.763049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.763049 (E_RNA)
where:
Base-Base interactions energy: -148.032
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.568
local terms energy: -72.163156
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -10.621
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: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -165.459679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.459679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.459679 (E_RNA)
where:
Base-Base interactions energy: -107.157
where: short stacking energy: -47.674
Base-Backbone interact. energy: -0.256
local terms energy: -58.046188
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -200.590563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.590563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.590563 (E_RNA)
where:
Base-Base interactions energy: -136.342
where: short stacking energy: -57.524
Base-Backbone interact. energy: -0.524
local terms energy: -63.724799
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -173.580215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.580215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.580215 (E_RNA)
where:
Base-Base interactions energy: -106.660
where: short stacking energy: -48.732
Base-Backbone interact. energy: -0.143
local terms energy: -66.777687
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -11.852
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: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -97.219847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.219847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.219847 (E_RNA)
where:
Base-Base interactions energy: -36.429
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.174
local terms energy: -60.616455
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -83.161585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161585 (E_RNA)
where:
Base-Base interactions energy: -26.754
where: short stacking energy: -24.766
Base-Backbone interact. energy: 1.614
local terms energy: -58.021206
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -73.949697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.949697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.949697 (E_RNA)
where:
Base-Base interactions energy: -23.807
where: short stacking energy: -23.671
Base-Backbone interact. energy: -0.224
local terms energy: -49.918721
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -90.345273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.345273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.345273 (E_RNA)
where:
Base-Base interactions energy: -37.954
where: short stacking energy: -25.094
Base-Backbone interact. energy: -0.298
local terms energy: -52.092894
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -10.519
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: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -219.739806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.739806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.739806 (E_RNA)
where:
Base-Base interactions energy: -137.641
where: short stacking energy: -69.599
Base-Backbone interact. energy: -0.001
local terms energy: -82.097731
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -18.824
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -218.190248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.190248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.190248 (E_RNA)
where:
Base-Base interactions energy: -140.088
where: short stacking energy: -56.047
Base-Backbone interact. energy: -1.062
local terms energy: -77.040054
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -13.562
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: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -222.014503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.014503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.014503 (E_RNA)
where:
Base-Base interactions energy: -143.509
where: short stacking energy: -67.353
Base-Backbone interact. energy: -1.373
local terms energy: -77.132847
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -207.183952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.183952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.183952 (E_RNA)
where:
Base-Base interactions energy: -143.639
where: short stacking energy: -66.554
Base-Backbone interact. energy: -0.341
local terms energy: -63.203981
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -151.369606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.369606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.369606 (E_RNA)
where:
Base-Base interactions energy: -98.896
where: short stacking energy: -42.927
Base-Backbone interact. energy: -0.205
local terms energy: -52.268547
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -8.567
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -163.361170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.361170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.361170 (E_RNA)
where:
Base-Base interactions energy: -100.770
where: short stacking energy: -43.831
Base-Backbone interact. energy: -0.127
local terms energy: -62.463457
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -11.844
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: 115
Temperature: 1.200000
Total energy: -97.783991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.783991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.783991 (E_RNA)
where:
Base-Base interactions energy: -48.842
where: short stacking energy: -39.119
Base-Backbone interact. energy: -0.001
local terms energy: -48.940814
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -4.722
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -10.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -102.244366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.244366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.244366 (E_RNA)
where:
Base-Base interactions energy: -41.096
where: short stacking energy: -39.667
Base-Backbone interact. energy: -0.377
local terms energy: -60.771556
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -99.522941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.522941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.522941 (E_RNA)
where:
Base-Base interactions energy: -42.591
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.197
local terms energy: -56.735209
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -3.595
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: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -75.709198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.709198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.709198 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -20.604
Base-Backbone interact. energy: -0.126
local terms energy: -41.470069
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -0.774
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -217.199389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.199389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.199389 (E_RNA)
where:
Base-Base interactions energy: -142.892
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.498
local terms energy: -73.809632
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -10.456
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: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -216.940726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.940726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.940726 (E_RNA)
where:
Base-Base interactions energy: -147.960
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.009
local terms energy: -68.972458
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -8.808
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -21.758
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: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -213.514505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.514505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.514505 (E_RNA)
where:
Base-Base interactions energy: -136.079
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.117
local terms energy: -77.318785
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -213.431571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.431571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.431571 (E_RNA)
where:
Base-Base interactions energy: -146.065
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.345
local terms energy: -67.021781
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -168.323705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.323705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.323705 (E_RNA)
where:
Base-Base interactions energy: -106.509
where: short stacking energy: -48.324
Base-Backbone interact. energy: -1.757
local terms energy: -60.057460
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -136.578927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.578927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.578927 (E_RNA)
where:
Base-Base interactions energy: -80.845
where: short stacking energy: -32.846
Base-Backbone interact. energy: -0.695
local terms energy: -55.038996
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -106.311123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.311123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.311123 (E_RNA)
where:
Base-Base interactions energy: -47.824
where: short stacking energy: -39.715
Base-Backbone interact. energy: 0.143
local terms energy: -58.629845
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -94.224209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.224209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.224209 (E_RNA)
where:
Base-Base interactions energy: -48.288
where: short stacking energy: -29.140
Base-Backbone interact. energy: -0.470
local terms energy: -45.465451
where:
bonds (distance) C4'-P energy: -6.888
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -3.234
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: 116
Temperature: 1.300000
Total energy: -78.427988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.427988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.427988 (E_RNA)
where:
Base-Base interactions energy: -30.926
where: short stacking energy: -19.713
Base-Backbone interact. energy: -0.811
local terms energy: -46.690669
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -9.002
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: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -78.097757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.097757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.097757 (E_RNA)
where:
Base-Base interactions energy: -31.697
where: short stacking energy: -23.157
Base-Backbone interact. energy: 3.746
local terms energy: -50.147150
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -220.808694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.808694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.808694 (E_RNA)
where:
Base-Base interactions energy: -146.741
where: short stacking energy: -72.479
Base-Backbone interact. energy: -0.810
local terms energy: -73.257552
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -21.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -218.938107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.938107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.938107 (E_RNA)
where:
Base-Base interactions energy: -143.459
where: short stacking energy: -72.312
Base-Backbone interact. energy: -0.010
local terms energy: -75.469308
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -218.787426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.787426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.787426 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.368
local terms energy: -78.072952
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -194.951079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.951079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.951079 (E_RNA)
where:
Base-Base interactions energy: -128.006
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.466
local terms energy: -66.479647
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -211.851494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.851494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.851494 (E_RNA)
where:
Base-Base interactions energy: -133.438
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.416
local terms energy: -77.997897
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -19.211
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: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -96.014281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.014281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.014281 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -32.729
Base-Backbone interact. energy: -0.618
local terms energy: -51.636813
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -1.117
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: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -109.802038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.802038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.802038 (E_RNA)
where:
Base-Base interactions energy: -70.436
where: short stacking energy: -19.136
Base-Backbone interact. energy: -0.363
local terms energy: -39.002616
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -7.420
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: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -80.909193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.909193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.909193 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -22.091
Base-Backbone interact. energy: -0.438
local terms energy: -52.149446
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: 0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -79.483279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.483279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.483279 (E_RNA)
where:
Base-Base interactions energy: -32.880
where: short stacking energy: -23.346
Base-Backbone interact. energy: -0.113
local terms energy: -46.490265
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -3.670
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: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -89.894496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.894496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.894496 (E_RNA)
where:
Base-Base interactions energy: -32.677
where: short stacking energy: -23.720
Base-Backbone interact. energy: -0.116
local terms energy: -57.101223
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -223.754445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.754445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.754445 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -75.698
Base-Backbone interact. energy: -0.084
local terms energy: -76.613292
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -13.247
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: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -218.009108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.009108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.009108 (E_RNA)
where:
Base-Base interactions energy: -151.667
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.456
local terms energy: -65.886585
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -19.365
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: 118
Temperature: 1.000000
Total energy: -215.899956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.899956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.899956 (E_RNA)
where:
Base-Base interactions energy: -143.635
where: short stacking energy: -64.543
Base-Backbone interact. energy: -0.281
local terms energy: -71.984362
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -176.330537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.330537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.330537 (E_RNA)
where:
Base-Base interactions energy: -111.592
where: short stacking energy: -49.438
Base-Backbone interact. energy: -0.169
local terms energy: -64.570029
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -10.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -203.979564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.979564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.979564 (E_RNA)
where:
Base-Base interactions energy: -137.138
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.017
local terms energy: -66.824238
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -8.191
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: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -114.484281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.484281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.484281 (E_RNA)
where:
Base-Base interactions energy: -57.207
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.324
local terms energy: -56.953331
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -90.503854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.503854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.503854 (E_RNA)
where:
Base-Base interactions energy: -34.603
where: short stacking energy: -34.603
Base-Backbone interact. energy: -0.251
local terms energy: -55.649796
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -89.321396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.321396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.321396 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -34.771
Base-Backbone interact. energy: -0.176
local terms energy: -52.711921
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -96.053029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.053029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.053029 (E_RNA)
where:
Base-Base interactions energy: -44.988
where: short stacking energy: -20.274
Base-Backbone interact. energy: -0.114
local terms energy: -50.951127
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -84.645970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.645970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.645970 (E_RNA)
where:
Base-Base interactions energy: -36.827
where: short stacking energy: -32.123
Base-Backbone interact. energy: -0.029
local terms energy: -47.790063
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -0.408
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -225.117953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.117953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.117953 (E_RNA)
where:
Base-Base interactions energy: -149.572
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.054
local terms energy: -75.492557
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -9.990
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: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -214.067618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.067618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.067618 (E_RNA)
where:
Base-Base interactions energy: -141.349
where: short stacking energy: -64.235
Base-Backbone interact. energy: -0.158
local terms energy: -72.560102
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -15.323
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: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -222.198004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.198004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.198004 (E_RNA)
where:
Base-Base interactions energy: -149.530
where: short stacking energy: -65.844
Base-Backbone interact. energy: -0.007
local terms energy: -72.660851
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.656
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -198.090832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.090832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.090832 (E_RNA)
where:
Base-Base interactions energy: -128.571
where: short stacking energy: -47.504
Base-Backbone interact. energy: -0.137
local terms energy: -69.382612
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -171.863173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.863173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.863173 (E_RNA)
where:
Base-Base interactions energy: -109.095
where: short stacking energy: -51.993
Base-Backbone interact. energy: -0.182
local terms energy: -62.585614
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -117.292451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.292451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.292451 (E_RNA)
where:
Base-Base interactions energy: -58.043
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.305
local terms energy: -58.944363
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -6.131
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: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -100.394468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.394468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.394468 (E_RNA)
where:
Base-Base interactions energy: -45.917
where: short stacking energy: -45.917
Base-Backbone interact. energy: -0.014
local terms energy: -54.463432
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -8.934
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: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -98.136870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.136870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.136870 (E_RNA)
where:
Base-Base interactions energy: -41.526
where: short stacking energy: -34.962
Base-Backbone interact. energy: -0.134
local terms energy: -56.477785
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -79.547249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.547249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.547249 (E_RNA)
where:
Base-Base interactions energy: -31.109
where: short stacking energy: -26.923
Base-Backbone interact. energy: -0.223
local terms energy: -48.214671
where:
bonds (distance) C4'-P energy: -7.771
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -69.598570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.598570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.598570 (E_RNA)
where:
Base-Base interactions energy: -20.784
where: short stacking energy: -20.784
Base-Backbone interact. energy: -0.939
local terms energy: -47.875087
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -217.243050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.243050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.243050 (E_RNA)
where:
Base-Base interactions energy: -146.048
where: short stacking energy: -68.444
Base-Backbone interact. energy: -0.179
local terms energy: -71.016313
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -221.906631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.906631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.906631 (E_RNA)
where:
Base-Base interactions energy: -137.364
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.074
local terms energy: -84.468693
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -22.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -225.835547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.835547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.835547 (E_RNA)
where:
Base-Base interactions energy: -149.167
where: short stacking energy: -77.748
Base-Backbone interact. energy: -0.002
local terms energy: -76.666101
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -21.471
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: 120
Temperature: 1.050000
Total energy: -209.346307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.346307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.346307 (E_RNA)
where:
Base-Base interactions energy: -140.887
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.105
local terms energy: -68.353826
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -120.128780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.128780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.128780 (E_RNA)
where:
Base-Base interactions energy: -64.745
where: short stacking energy: -42.310
Base-Backbone interact. energy: -0.148
local terms energy: -55.235387
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -164.986260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.986260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.986260 (E_RNA)
where:
Base-Base interactions energy: -107.179
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.037
local terms energy: -57.770362
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -12.564
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: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -100.210586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.210586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.210586 (E_RNA)
where:
Base-Base interactions energy: -49.130
where: short stacking energy: -21.919
Base-Backbone interact. energy: -1.747
local terms energy: -49.333659
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -105.431845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.431845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.431845 (E_RNA)
where:
Base-Base interactions energy: -53.665
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.271
local terms energy: -51.495488
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -80.563820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.563820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.563820 (E_RNA)
where:
Base-Base interactions energy: -33.218
where: short stacking energy: -33.218
Base-Backbone interact. energy: -0.064
local terms energy: -47.281572
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -120.201124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.201124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.201124 (E_RNA)
where:
Base-Base interactions energy: -75.823
where: short stacking energy: -38.893
Base-Backbone interact. energy: 0.882
local terms energy: -45.259680
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -4.550
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: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -220.112056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.112056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112056 (E_RNA)
where:
Base-Base interactions energy: -147.996
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.014
local terms energy: -72.101405
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -213.694972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.694972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.694972 (E_RNA)
where:
Base-Base interactions energy: -143.188
where: short stacking energy: -73.604
Base-Backbone interact. energy: -0.522
local terms energy: -69.984537
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -214.897042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.897042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.897042 (E_RNA)
where:
Base-Base interactions energy: -138.477
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.005
local terms energy: -76.415076
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -13.551
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: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -201.346578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.346578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.346578 (E_RNA)
where:
Base-Base interactions energy: -127.166
where: short stacking energy: -56.991
Base-Backbone interact. energy: 0.246
local terms energy: -74.426989
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -135.066324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.066324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.066324 (E_RNA)
where:
Base-Base interactions energy: -78.873
where: short stacking energy: -48.612
Base-Backbone interact. energy: -0.270
local terms energy: -55.923279
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -149.583617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.583617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.583617 (E_RNA)
where:
Base-Base interactions energy: -89.028
where: short stacking energy: -38.222
Base-Backbone interact. energy: -0.332
local terms energy: -60.223502
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.160
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: 121
Temperature: 1.200000
Total energy: -141.895177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.895177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.895177 (E_RNA)
where:
Base-Base interactions energy: -87.259
where: short stacking energy: -38.800
Base-Backbone interact. energy: -0.118
local terms energy: -54.517821
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -7.618
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -87.056164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.056164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.056164 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.139
local terms energy: -45.277785
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -0.127
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -76.178238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.178238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.178238 (E_RNA)
where:
Base-Base interactions energy: -25.311
where: short stacking energy: -21.303
Base-Backbone interact. energy: -0.181
local terms energy: -50.686049
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: 2.056
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: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -93.850909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.850909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.850909 (E_RNA)
where:
Base-Base interactions energy: -39.205
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.151
local terms energy: -54.494989
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -5.784
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: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -218.323717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.323717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.323717 (E_RNA)
where:
Base-Base interactions energy: -146.812
where: short stacking energy: -70.258
Base-Backbone interact. energy: -0.075
local terms energy: -71.436278
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -20.097
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: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -218.643561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.643561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.643561 (E_RNA)
where:
Base-Base interactions energy: -143.313
where: short stacking energy: -71.955
Base-Backbone interact. energy: -0.058
local terms energy: -75.272458
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -215.799000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.799000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.799000 (E_RNA)
where:
Base-Base interactions energy: -135.544
where: short stacking energy: -68.159
Base-Backbone interact. energy: -0.324
local terms energy: -79.930893
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -200.137508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.137508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.137508 (E_RNA)
where:
Base-Base interactions energy: -136.915
where: short stacking energy: -56.056
Base-Backbone interact. energy: -0.000
local terms energy: -63.221734
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -158.837873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.837873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.837873 (E_RNA)
where:
Base-Base interactions energy: -97.196
where: short stacking energy: -46.497
Base-Backbone interact. energy: -0.128
local terms energy: -61.514405
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -111.327102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.327102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.327102 (E_RNA)
where:
Base-Base interactions energy: -63.122
where: short stacking energy: -31.884
Base-Backbone interact. energy: -0.231
local terms energy: -47.974503
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -8.603
flat angles P-C4'-P energy: -3.849
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: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -143.043089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.043089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.043089 (E_RNA)
where:
Base-Base interactions energy: -81.545
where: short stacking energy: -35.993
Base-Backbone interact. energy: -0.326
local terms energy: -61.172133
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -4.917
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -94.303384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.303384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.303384 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -34.509
Base-Backbone interact. energy: -0.033
local terms energy: -54.808709
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -8.166
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -101.301563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.301563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.301563 (E_RNA)
where:
Base-Base interactions energy: -60.124
where: short stacking energy: -27.667
Base-Backbone interact. energy: 0.913
local terms energy: -42.090130
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -73.040249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.040249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.040249 (E_RNA)
where:
Base-Base interactions energy: -24.345
where: short stacking energy: -22.655
Base-Backbone interact. energy: -0.120
local terms energy: -48.574985
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -11.518
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: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -228.768987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.768987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.768987 (E_RNA)
where:
Base-Base interactions energy: -147.524
where: short stacking energy: -73.739
Base-Backbone interact. energy: -0.003
local terms energy: -81.242671
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -218.199612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.199612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.199612 (E_RNA)
where:
Base-Base interactions energy: -142.001
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.705
local terms energy: -75.492766
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -13.844
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: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -220.985189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.985189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.985189 (E_RNA)
where:
Base-Base interactions energy: -148.753
where: short stacking energy: -58.116
Base-Backbone interact. energy: -0.958
local terms energy: -71.274287
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -208.111978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.111978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.111978 (E_RNA)
where:
Base-Base interactions energy: -140.133
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.483
local terms energy: -67.495941
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -162.874971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.874971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.874971 (E_RNA)
where:
Base-Base interactions energy: -100.538
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.049
local terms energy: -62.287894
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -146.659228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.659228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.659228 (E_RNA)
where:
Base-Base interactions energy: -83.062
where: short stacking energy: -51.427
Base-Backbone interact. energy: -0.045
local terms energy: -63.551678
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -103.963614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.963614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.963614 (E_RNA)
where:
Base-Base interactions energy: -45.089
where: short stacking energy: -32.302
Base-Backbone interact. energy: -0.196
local terms energy: -58.678733
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -2.680
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: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -91.771811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.771811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.771811 (E_RNA)
where:
Base-Base interactions energy: -41.911
where: short stacking energy: -28.587
Base-Backbone interact. energy: -0.128
local terms energy: -49.733142
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -81.764765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.764765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.764765 (E_RNA)
where:
Base-Base interactions energy: -33.061
where: short stacking energy: -31.465
Base-Backbone interact. energy: -0.305
local terms energy: -48.398527
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: 2.338
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: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -79.307496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.307496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.307496 (E_RNA)
where:
Base-Base interactions energy: -31.187
where: short stacking energy: -29.940
Base-Backbone interact. energy: -0.106
local terms energy: -48.014663
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -213.538323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.538323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.538323 (E_RNA)
where:
Base-Base interactions energy: -139.618
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.199
local terms energy: -73.720824
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -220.501781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.501781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.501781 (E_RNA)
where:
Base-Base interactions energy: -139.787
where: short stacking energy: -72.672
Base-Backbone interact. energy: -0.763
local terms energy: -79.951746
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.997
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: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -215.457931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.457931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.457931 (E_RNA)
where:
Base-Base interactions energy: -143.956
where: short stacking energy: -57.138
Base-Backbone interact. energy: 0.790
local terms energy: -72.291249
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -202.702353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.702353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.702353 (E_RNA)
where:
Base-Base interactions energy: -135.080
where: short stacking energy: -60.788
Base-Backbone interact. energy: -0.325
local terms energy: -67.296875
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -7.499
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: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -158.469847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.469847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.469847 (E_RNA)
where:
Base-Base interactions energy: -91.797
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.000
local terms energy: -66.672365
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -12.126
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: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -164.190959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.190959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.190959 (E_RNA)
where:
Base-Base interactions energy: -106.601
where: short stacking energy: -40.273
Base-Backbone interact. energy: -0.577
local terms energy: -57.012198
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -9.280
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -91.289197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.289197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.289197 (E_RNA)
where:
Base-Base interactions energy: -44.034
where: short stacking energy: -30.944
Base-Backbone interact. energy: -0.082
local terms energy: -47.172847
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -86.715532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.715532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.715532 (E_RNA)
where:
Base-Base interactions energy: -32.188
where: short stacking energy: -27.490
Base-Backbone interact. energy: -0.100
local terms energy: -54.427397
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -9.681
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: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -75.491144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.491144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.491144 (E_RNA)
where:
Base-Base interactions energy: -29.227
where: short stacking energy: -16.297
Base-Backbone interact. energy: -0.232
local terms energy: -46.032507
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -77.199957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.199957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.199957 (E_RNA)
where:
Base-Base interactions energy: -31.953
where: short stacking energy: -21.850
Base-Backbone interact. energy: -0.138
local terms energy: -45.109686
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: 1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -225.350430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.350430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.350430 (E_RNA)
where:
Base-Base interactions energy: -159.160
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.023
local terms energy: -66.167433
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -217.235103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.235103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.235103 (E_RNA)
where:
Base-Base interactions energy: -148.183
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.023
local terms energy: -69.028651
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -214.206856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.206856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.206856 (E_RNA)
where:
Base-Base interactions energy: -138.596
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.169
local terms energy: -75.441481
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -204.370737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.370737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.370737 (E_RNA)
where:
Base-Base interactions energy: -138.166
where: short stacking energy: -41.855
Base-Backbone interact. energy: -0.033
local terms energy: -66.172230
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -176.856851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.856851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.856851 (E_RNA)
where:
Base-Base interactions energy: -121.076
where: short stacking energy: -54.788
Base-Backbone interact. energy: -0.287
local terms energy: -55.494077
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -11.397
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: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -170.488959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.488959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.488959 (E_RNA)
where:
Base-Base interactions energy: -108.102
where: short stacking energy: -40.146
Base-Backbone interact. energy: 0.615
local terms energy: -63.001757
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -92.681639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.681639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.681639 (E_RNA)
where:
Base-Base interactions energy: -39.793
where: short stacking energy: -26.651
Base-Backbone interact. energy: -0.540
local terms energy: -52.348495
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -0.681
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: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -87.984115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.984115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.984115 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -31.426
Base-Backbone interact. energy: -0.510
local terms energy: -49.341339
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -7.618
flat angles P-C4'-P energy: -4.238
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: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -86.836909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.836909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.836909 (E_RNA)
where:
Base-Base interactions energy: -35.526
where: short stacking energy: -35.926
Base-Backbone interact. energy: -0.194
local terms energy: -51.117060
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -6.147
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: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -83.250556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.250556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.250556 (E_RNA)
where:
Base-Base interactions energy: -39.088
where: short stacking energy: -30.266
Base-Backbone interact. energy: -0.033
local terms energy: -44.129214
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -220.934775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.934775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.934775 (E_RNA)
where:
Base-Base interactions energy: -144.094
where: short stacking energy: -49.113
Base-Backbone interact. energy: -1.390
local terms energy: -75.450077
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -227.995139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.995139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.995139 (E_RNA)
where:
Base-Base interactions energy: -148.666
where: short stacking energy: -74.599
Base-Backbone interact. energy: -0.001
local terms energy: -79.328243
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -220.257497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.257497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.257497 (E_RNA)
where:
Base-Base interactions energy: -145.462
where: short stacking energy: -69.855
Base-Backbone interact. energy: -0.352
local terms energy: -74.443581
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -214.896689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.896689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.896689 (E_RNA)
where:
Base-Base interactions energy: -149.236
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.133
local terms energy: -65.527952
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -180.717659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.717659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.717659 (E_RNA)
where:
Base-Base interactions energy: -123.010
where: short stacking energy: -47.190
Base-Backbone interact. energy: -0.527
local terms energy: -57.180285
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -155.311715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.311715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.311715 (E_RNA)
where:
Base-Base interactions energy: -91.830
where: short stacking energy: -50.229
Base-Backbone interact. energy: -0.011
local terms energy: -63.470481
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -100.078700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.078700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.078700 (E_RNA)
where:
Base-Base interactions energy: -50.901
where: short stacking energy: -36.536
Base-Backbone interact. energy: 0.094
local terms energy: -49.271726
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -6.069
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -93.371199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.371199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.371199 (E_RNA)
where:
Base-Base interactions energy: -42.156
where: short stacking energy: -38.365
Base-Backbone interact. energy: 0.152
local terms energy: -51.366951
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -75.470364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.470364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.470364 (E_RNA)
where:
Base-Base interactions energy: -29.362
where: short stacking energy: -29.326
Base-Backbone interact. energy: 0.509
local terms energy: -46.617882
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -96.529114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.529114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.529114 (E_RNA)
where:
Base-Base interactions energy: -43.626
where: short stacking energy: -41.731
Base-Backbone interact. energy: -0.016
local terms energy: -52.887860
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -2.834
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -226.104102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.104102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.104102 (E_RNA)
where:
Base-Base interactions energy: -149.388
where: short stacking energy: -76.315
Base-Backbone interact. energy: -0.009
local terms energy: -76.707024
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -10.049
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: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -218.004751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.004751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.004751 (E_RNA)
where:
Base-Base interactions energy: -135.687
where: short stacking energy: -64.310
Base-Backbone interact. energy: -1.667
local terms energy: -80.650633
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -208.577751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.577751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.577751 (E_RNA)
where:
Base-Base interactions energy: -131.898
where: short stacking energy: -58.092
Base-Backbone interact. energy: -0.093
local terms energy: -76.587148
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -207.771038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.771038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.771038 (E_RNA)
where:
Base-Base interactions energy: -135.797
where: short stacking energy: -58.002
Base-Backbone interact. energy: -1.626
local terms energy: -70.348611
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -177.561397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.561397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.561397 (E_RNA)
where:
Base-Base interactions energy: -119.126
where: short stacking energy: -40.636
Base-Backbone interact. energy: -0.243
local terms energy: -58.192187
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -7.996
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: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -165.602124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.602124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.602124 (E_RNA)
where:
Base-Base interactions energy: -106.576
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.709
local terms energy: -58.317579
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -92.904288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.904288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.904288 (E_RNA)
where:
Base-Base interactions energy: -43.922
where: short stacking energy: -15.880
Base-Backbone interact. energy: -0.842
local terms energy: -48.141081
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: 1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -82.088365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.088365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.088365 (E_RNA)
where:
Base-Base interactions energy: -31.422
where: short stacking energy: -25.029
Base-Backbone interact. energy: -0.042
local terms energy: -50.623888
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -87.297627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.297627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.297627 (E_RNA)
where:
Base-Base interactions energy: -40.393
where: short stacking energy: -25.957
Base-Backbone interact. energy: -1.257
local terms energy: -45.647657
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -2.061
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: 127
Temperature: 1.350000
Total energy: -84.352810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.352810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.352810 (E_RNA)
where:
Base-Base interactions energy: -31.869
where: short stacking energy: -31.869
Base-Backbone interact. energy: -0.073
local terms energy: -52.410045
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -6.775
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: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -224.292734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.292734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.292734 (E_RNA)
where:
Base-Base interactions energy: -146.855
where: short stacking energy: -74.116
Base-Backbone interact. energy: -0.644
local terms energy: -76.794271
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -225.465367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.465367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.465367 (E_RNA)
where:
Base-Base interactions energy: -151.313
where: short stacking energy: -78.049
Base-Backbone interact. energy: -0.156
local terms energy: -73.996110
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -205.588125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.588125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.588125 (E_RNA)
where:
Base-Base interactions energy: -131.590
where: short stacking energy: -53.235
Base-Backbone interact. energy: -1.405
local terms energy: -72.592721
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -197.969437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.969437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.969437 (E_RNA)
where:
Base-Base interactions energy: -126.678
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.052
local terms energy: -71.240317
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -15.060
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: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -185.033597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.033597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.033597 (E_RNA)
where:
Base-Base interactions energy: -120.069
where: short stacking energy: -59.713
Base-Backbone interact. energy: -0.067
local terms energy: -64.897837
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -21.126
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: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -148.524003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.524003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.524003 (E_RNA)
where:
Base-Base interactions energy: -91.190
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.858
local terms energy: -56.475746
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -94.255257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.255257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.255257 (E_RNA)
where:
Base-Base interactions energy: -50.260
where: short stacking energy: -39.540
Base-Backbone interact. energy: 0.219
local terms energy: -44.214494
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -131.919033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.919033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.919033 (E_RNA)
where:
Base-Base interactions energy: -74.504
where: short stacking energy: -27.915
Base-Backbone interact. energy: -0.459
local terms energy: -56.956374
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -88.209310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.209310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.209310 (E_RNA)
where:
Base-Base interactions energy: -41.437
where: short stacking energy: -27.822
Base-Backbone interact. energy: -0.434
local terms energy: -46.338514
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -9.387
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: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -76.168029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.168029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.168029 (E_RNA)
where:
Base-Base interactions energy: -30.279
where: short stacking energy: -24.235
Base-Backbone interact. energy: -0.236
local terms energy: -45.652386
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -231.086171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.086171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.086171 (E_RNA)
where:
Base-Base interactions energy: -149.951
where: short stacking energy: -73.727
Base-Backbone interact. energy: -0.578
local terms energy: -80.558032
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -12.143
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: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -214.550779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.550779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.550779 (E_RNA)
where:
Base-Base interactions energy: -140.923
where: short stacking energy: -66.826
Base-Backbone interact. energy: -0.006
local terms energy: -73.621143
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -220.147602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.147602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.147602 (E_RNA)
where:
Base-Base interactions energy: -148.366
where: short stacking energy: -68.785
Base-Backbone interact. energy: -0.067
local terms energy: -71.714720
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -195.773222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.773222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.773222 (E_RNA)
where:
Base-Base interactions energy: -123.140
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.009
local terms energy: -72.624973
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -192.316593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.316593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.316593 (E_RNA)
where:
Base-Base interactions energy: -121.401
where: short stacking energy: -43.811
Base-Backbone interact. energy: -0.952
local terms energy: -69.963748
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -153.886853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.886853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.886853 (E_RNA)
where:
Base-Base interactions energy: -92.915
where: short stacking energy: -40.825
Base-Backbone interact. energy: -0.005
local terms energy: -60.966528
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -93.279109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.279109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.279109 (E_RNA)
where:
Base-Base interactions energy: -37.277
where: short stacking energy: -35.679
Base-Backbone interact. energy: -0.032
local terms energy: -55.969486
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -7.084
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: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -123.452560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.452560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.452560 (E_RNA)
where:
Base-Base interactions energy: -69.291
where: short stacking energy: -35.741
Base-Backbone interact. energy: -0.134
local terms energy: -54.027540
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -91.605103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.605103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.605103 (E_RNA)
where:
Base-Base interactions energy: -50.736
where: short stacking energy: -20.791
Base-Backbone interact. energy: -1.024
local terms energy: -39.845599
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -1.182
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -78.698152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.698152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.698152 (E_RNA)
where:
Base-Base interactions energy: -34.473
where: short stacking energy: -20.482
Base-Backbone interact. energy: -0.234
local terms energy: -43.991413
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -230.944752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.944752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.944752 (E_RNA)
where:
Base-Base interactions energy: -149.274
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.009
local terms energy: -81.662035
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -220.262042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.262042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.262042 (E_RNA)
where:
Base-Base interactions energy: -146.007
where: short stacking energy: -72.360
Base-Backbone interact. energy: 0.041
local terms energy: -74.296467
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -200.439012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.439012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.439012 (E_RNA)
where:
Base-Base interactions energy: -134.470
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.012
local terms energy: -65.957481
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -215.411887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.411887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.411887 (E_RNA)
where:
Base-Base interactions energy: -140.092
where: short stacking energy: -65.898
Base-Backbone interact. energy: 1.743
local terms energy: -77.062297
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -192.320316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.320316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.320316 (E_RNA)
where:
Base-Base interactions energy: -129.284
where: short stacking energy: -51.031
Base-Backbone interact. energy: -0.201
local terms energy: -62.834803
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -171.438113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.438113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.438113 (E_RNA)
where:
Base-Base interactions energy: -108.654
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.426
local terms energy: -62.358310
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -85.557128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557128 (E_RNA)
where:
Base-Base interactions energy: -36.615
where: short stacking energy: -25.719
Base-Backbone interact. energy: -0.256
local terms energy: -48.685733
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.429
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: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -128.902465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.902465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.902465 (E_RNA)
where:
Base-Base interactions energy: -79.802
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.625
local terms energy: -48.475944
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -80.586595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.586595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.586595 (E_RNA)
where:
Base-Base interactions energy: -33.949
where: short stacking energy: -29.341
Base-Backbone interact. energy: -0.109
local terms energy: -46.528539
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -74.198508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.198508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.198508 (E_RNA)
where:
Base-Base interactions energy: -27.077
where: short stacking energy: -25.182
Base-Backbone interact. energy: 0.530
local terms energy: -47.651552
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -227.505665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.505665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.505665 (E_RNA)
where:
Base-Base interactions energy: -148.669
where: short stacking energy: -69.359
Base-Backbone interact. energy: -1.046
local terms energy: -77.790153
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -220.512903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.512903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.512903 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.005
local terms energy: -79.840369
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -21.533
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: 131
Temperature: 1.000000
Total energy: -214.074006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.074006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.074006 (E_RNA)
where:
Base-Base interactions energy: -138.176
where: short stacking energy: -71.681
Base-Backbone interact. energy: -0.002
local terms energy: -75.895920
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -4.874
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: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -200.796059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.796059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.796059 (E_RNA)
where:
Base-Base interactions energy: -146.973
where: short stacking energy: -50.822
Base-Backbone interact. energy: -0.474
local terms energy: -53.349528
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -6.766
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -4.359
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: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -203.825154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.825154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.825154 (E_RNA)
where:
Base-Base interactions energy: -143.616
where: short stacking energy: -51.945
Base-Backbone interact. energy: 1.482
local terms energy: -61.691160
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -6.261
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: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -146.662072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.662072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.662072 (E_RNA)
where:
Base-Base interactions energy: -91.790
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.270
local terms energy: -54.601421
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -10.670
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: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -99.350031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.350031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.350031 (E_RNA)
where:
Base-Base interactions energy: -46.467
where: short stacking energy: -34.980
Base-Backbone interact. energy: -0.128
local terms energy: -52.755461
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -6.140
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -151.811328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.811328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.811328 (E_RNA)
where:
Base-Base interactions energy: -90.044
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.225
local terms energy: -61.542785
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -8.588
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: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -78.781107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.781107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.781107 (E_RNA)
where:
Base-Base interactions energy: -29.933
where: short stacking energy: -25.726
Base-Backbone interact. energy: -0.211
local terms energy: -48.636331
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -77.399106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.399106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.399106 (E_RNA)
where:
Base-Base interactions energy: -33.935
where: short stacking energy: -27.122
Base-Backbone interact. energy: -0.739
local terms energy: -42.725222
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -220.112114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.112114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112114 (E_RNA)
where:
Base-Base interactions energy: -141.667
where: short stacking energy: -66.664
Base-Backbone interact. energy: -1.085
local terms energy: -77.360241
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -210.788765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.788765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.788765 (E_RNA)
where:
Base-Base interactions energy: -142.203
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.319
local terms energy: -68.266860
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -204.732069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.732069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.732069 (E_RNA)
where:
Base-Base interactions energy: -128.585
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.008
local terms energy: -76.139838
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -179.338944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.338944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.338944 (E_RNA)
where:
Base-Base interactions energy: -113.244
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.016
local terms energy: -66.079175
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -14.044
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: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -199.776674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.776674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.776674 (E_RNA)
where:
Base-Base interactions energy: -131.434
where: short stacking energy: -52.859
Base-Backbone interact. energy: -0.948
local terms energy: -67.393929
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -140.020591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.020591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.020591 (E_RNA)
where:
Base-Base interactions energy: -76.541
where: short stacking energy: -41.173
Base-Backbone interact. energy: -0.314
local terms energy: -63.165766
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -112.526600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.526600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.526600 (E_RNA)
where:
Base-Base interactions energy: -70.652
where: short stacking energy: -28.615
Base-Backbone interact. energy: -0.787
local terms energy: -41.087604
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -83.487465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.487465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.487465 (E_RNA)
where:
Base-Base interactions energy: -43.188
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.056
local terms energy: -40.243275
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: 4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -76.154297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.154297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.154297 (E_RNA)
where:
Base-Base interactions energy: -23.684
where: short stacking energy: -23.625
Base-Backbone interact. energy: -0.267
local terms energy: -52.203729
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -7.517
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -74.852827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.852827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.852827 (E_RNA)
where:
Base-Base interactions energy: -34.414
where: short stacking energy: -27.547
Base-Backbone interact. energy: -0.362
local terms energy: -40.076842
where:
bonds (distance) C4'-P energy: -4.563
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -230.103177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.103177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.103177 (E_RNA)
where:
Base-Base interactions energy: -152.033
where: short stacking energy: -67.400
Base-Backbone interact. energy: 0.321
local terms energy: -78.390304
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -220.452207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.452207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.452207 (E_RNA)
where:
Base-Base interactions energy: -137.533
where: short stacking energy: -63.577
Base-Backbone interact. energy: -0.081
local terms energy: -82.837771
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -12.307
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: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -205.909087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.909087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.909087 (E_RNA)
where:
Base-Base interactions energy: -135.781
where: short stacking energy: -57.196
Base-Backbone interact. energy: -0.038
local terms energy: -70.089828
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -207.340594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.340594 (E_RNA)
where:
Base-Base interactions energy: -139.363
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.105
local terms energy: -67.873185
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -171.672035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.672035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.672035 (E_RNA)
where:
Base-Base interactions energy: -106.006
where: short stacking energy: -51.071
Base-Backbone interact. energy: -0.884
local terms energy: -64.782102
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -158.695870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.695870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.695870 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.197
local terms energy: -57.360265
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -7.119
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: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -135.160938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.160938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.160938 (E_RNA)
where:
Base-Base interactions energy: -80.282
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.460
local terms energy: -54.419876
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -11.330
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: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -87.041164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.041164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.041164 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -38.640
Base-Backbone interact. energy: -0.048
local terms energy: -48.353250
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -82.161372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.161372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.161372 (E_RNA)
where:
Base-Base interactions energy: -32.772
where: short stacking energy: -31.173
Base-Backbone interact. energy: -0.063
local terms energy: -49.326337
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -70.135369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.135369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.135369 (E_RNA)
where:
Base-Base interactions energy: -21.824
where: short stacking energy: -21.824
Base-Backbone interact. energy: -0.769
local terms energy: -47.541920
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: 2.298
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: 134
Temperature: 0.900000
Total energy: -226.530335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.530335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.530335 (E_RNA)
where:
Base-Base interactions energy: -155.588
where: short stacking energy: -68.532
Base-Backbone interact. energy: -0.008
local terms energy: -70.934264
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -224.886740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.886740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.886740 (E_RNA)
where:
Base-Base interactions energy: -143.309
where: short stacking energy: -76.456
Base-Backbone interact. energy: -0.101
local terms energy: -81.477204
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -205.472445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.472445 (E_RNA)
where:
Base-Base interactions energy: -131.019
where: short stacking energy: -58.499
Base-Backbone interact. energy: 0.493
local terms energy: -74.947183
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -200.529003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.529003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.529003 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -48.888
Base-Backbone interact. energy: -1.329
local terms energy: -68.127237
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -200.542274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542274 (E_RNA)
where:
Base-Base interactions energy: -127.937
where: short stacking energy: -61.543
Base-Backbone interact. energy: -0.508
local terms energy: -72.097336
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -8.506
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: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -155.295014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.295014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.295014 (E_RNA)
where:
Base-Base interactions energy: -90.846
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.008
local terms energy: -64.441108
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -130.272041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.272041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.272041 (E_RNA)
where:
Base-Base interactions energy: -74.150
where: short stacking energy: -37.335
Base-Backbone interact. energy: -0.357
local terms energy: -55.765025
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -89.995217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.995217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.995217 (E_RNA)
where:
Base-Base interactions energy: -44.146
where: short stacking energy: -39.768
Base-Backbone interact. energy: -0.049
local terms energy: -45.799841
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: 0.704
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: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -80.499495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.499495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.499495 (E_RNA)
where:
Base-Base interactions energy: -32.403
where: short stacking energy: -31.978
Base-Backbone interact. energy: -0.122
local terms energy: -47.974888
where:
bonds (distance) C4'-P energy: -6.970
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -6.741
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: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -93.118287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.118287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.118287 (E_RNA)
where:
Base-Base interactions energy: -46.115
where: short stacking energy: -17.603
Base-Backbone interact. energy: -0.339
local terms energy: -46.664347
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -224.440395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.440395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.440395 (E_RNA)
where:
Base-Base interactions energy: -144.487
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.007
local terms energy: -79.946583
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -11.194
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: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -213.016195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.016195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.016195 (E_RNA)
where:
Base-Base interactions energy: -138.651
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.019
local terms energy: -74.345694
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -221.503253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.503253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.503253 (E_RNA)
where:
Base-Base interactions energy: -147.472
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.024
local terms energy: -74.006976
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -207.104391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.104391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.104391 (E_RNA)
where:
Base-Base interactions energy: -145.158
where: short stacking energy: -56.863
Base-Backbone interact. energy: -0.235
local terms energy: -61.711080
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -13.587
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: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -207.688948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.688948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.688948 (E_RNA)
where:
Base-Base interactions energy: -134.537
where: short stacking energy: -67.370
Base-Backbone interact. energy: -0.124
local terms energy: -73.028798
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -158.025156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.025156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.025156 (E_RNA)
where:
Base-Base interactions energy: -96.804
where: short stacking energy: -45.547
Base-Backbone interact. energy: -0.086
local terms energy: -61.135681
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -140.421920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.421920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.421920 (E_RNA)
where:
Base-Base interactions energy: -83.552
where: short stacking energy: -46.720
Base-Backbone interact. energy: -0.451
local terms energy: -56.417999
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -88.802084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802084 (E_RNA)
where:
Base-Base interactions energy: -40.302
where: short stacking energy: -40.302
Base-Backbone interact. energy: -0.126
local terms energy: -48.374342
where:
bonds (distance) C4'-P energy: -6.484
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -105.488648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.488648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.488648 (E_RNA)
where:
Base-Base interactions energy: -57.745
where: short stacking energy: -32.792
Base-Backbone interact. energy: 1.511
local terms energy: -49.254159
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -71.975598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.975598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.975598 (E_RNA)
where:
Base-Base interactions energy: -26.259
where: short stacking energy: -26.259
Base-Backbone interact. energy: -0.050
local terms energy: -45.667082
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -2.766
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: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -217.975859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.975859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.975859 (E_RNA)
where:
Base-Base interactions energy: -141.391
where: short stacking energy: -66.353
Base-Backbone interact. energy: -0.351
local terms energy: -76.233843
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.711
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: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -222.502454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.502454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.502454 (E_RNA)
where:
Base-Base interactions energy: -144.234
where: short stacking energy: -70.323
Base-Backbone interact. energy: -0.001
local terms energy: -78.267933
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -215.080036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.080036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.080036 (E_RNA)
where:
Base-Base interactions energy: -137.901
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.479
local terms energy: -76.700366
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -213.569560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.569560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.569560 (E_RNA)
where:
Base-Base interactions energy: -144.784
where: short stacking energy: -68.315
Base-Backbone interact. energy: 1.750
local terms energy: -70.535596
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -200.850998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.850998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.850998 (E_RNA)
where:
Base-Base interactions energy: -128.694
where: short stacking energy: -62.126
Base-Backbone interact. energy: -0.018
local terms energy: -72.139880
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -141.051381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.051381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.051381 (E_RNA)
where:
Base-Base interactions energy: -84.637
where: short stacking energy: -41.079
Base-Backbone interact. energy: -0.791
local terms energy: -55.623071
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -152.047551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.047551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.047551 (E_RNA)
where:
Base-Base interactions energy: -92.451
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.537
local terms energy: -59.059123
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -88.554848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.554848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.554848 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -37.154
Base-Backbone interact. energy: -0.002
local terms energy: -51.252576
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -10.440
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: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -116.538276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.538276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.538276 (E_RNA)
where:
Base-Base interactions energy: -63.899
where: short stacking energy: -32.191
Base-Backbone interact. energy: -0.193
local terms energy: -52.446392
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -88.699348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.699348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.699348 (E_RNA)
where:
Base-Base interactions energy: -36.276
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.099
local terms energy: -52.324457
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -213.369117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.369117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.369117 (E_RNA)
where:
Base-Base interactions energy: -140.151
where: short stacking energy: -68.135
Base-Backbone interact. energy: -0.338
local terms energy: -72.879430
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -220.009935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.009935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.009935 (E_RNA)
where:
Base-Base interactions energy: -143.704
where: short stacking energy: -72.197
Base-Backbone interact. energy: -0.001
local terms energy: -76.305467
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -207.772571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.772571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.772571 (E_RNA)
where:
Base-Base interactions energy: -139.675
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.439
local terms energy: -67.657965
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -8.016
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: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -212.537430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.537430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.537430 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.066
local terms energy: -72.837647
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -204.244972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244972 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -64.708
Base-Backbone interact. energy: -0.385
local terms energy: -71.910344
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -19.487
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: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -173.883333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.883333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.883333 (E_RNA)
where:
Base-Base interactions energy: -110.369
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.046
local terms energy: -63.467671
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -139.888052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.888052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.888052 (E_RNA)
where:
Base-Base interactions energy: -80.513
where: short stacking energy: -49.484
Base-Backbone interact. energy: 0.715
local terms energy: -60.090574
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -10.259
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: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -90.763683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.763683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.763683 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -37.135
Base-Backbone interact. energy: -0.085
local terms energy: -47.651424
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -7.117
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: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -74.348654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.348654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.348654 (E_RNA)
where:
Base-Base interactions energy: -35.739
where: short stacking energy: -19.176
Base-Backbone interact. energy: -0.675
local terms energy: -37.934957
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: 2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -72.295243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.295243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.295243 (E_RNA)
where:
Base-Base interactions energy: -32.226
where: short stacking energy: -32.226
Base-Backbone interact. energy: -0.173
local terms energy: -39.896321
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -7.179
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -227.906246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.906246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.906246 (E_RNA)
where:
Base-Base interactions energy: -146.042
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.046
local terms energy: -81.817745
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -202.177836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.177836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.177836 (E_RNA)
where:
Base-Base interactions energy: -136.790
where: short stacking energy: -54.495
Base-Backbone interact. energy: 0.381
local terms energy: -65.767930
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.191
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: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -226.889118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.889118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.889118 (E_RNA)
where:
Base-Base interactions energy: -145.851
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.401
local terms energy: -80.636843
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -207.686797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.686797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.686797 (E_RNA)
where:
Base-Base interactions energy: -137.680
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.513
local terms energy: -69.493336
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.152
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: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -205.867699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.867699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.867699 (E_RNA)
where:
Base-Base interactions energy: -140.369
where: short stacking energy: -67.968
Base-Backbone interact. energy: -0.065
local terms energy: -65.433829
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -175.311620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.311620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.311620 (E_RNA)
where:
Base-Base interactions energy: -110.472
where: short stacking energy: -59.440
Base-Backbone interact. energy: -0.048
local terms energy: -64.792545
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -145.699545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.699545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.699545 (E_RNA)
where:
Base-Base interactions energy: -83.318
where: short stacking energy: -35.749
Base-Backbone interact. energy: -0.256
local terms energy: -62.125508
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -93.799054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.799054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.799054 (E_RNA)
where:
Base-Base interactions energy: -41.363
where: short stacking energy: -39.430
Base-Backbone interact. energy: -0.236
local terms energy: -52.199772
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -9.021
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: 138
Temperature: 1.300000
Total energy: -74.188637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.188637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.188637 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.051
local terms energy: -41.003811
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -7.588
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -83.367135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367135 (E_RNA)
where:
Base-Base interactions energy: -39.422
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.575
local terms energy: -43.370740
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -8.179
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: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -227.591510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.591510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.591510 (E_RNA)
where:
Base-Base interactions energy: -148.402
where: short stacking energy: -70.642
Base-Backbone interact. energy: 0.612
local terms energy: -79.801856
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -221.712475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.712475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.712475 (E_RNA)
where:
Base-Base interactions energy: -149.341
where: short stacking energy: -68.527
Base-Backbone interact. energy: -0.439
local terms energy: -71.932584
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -203.542434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.542434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.542434 (E_RNA)
where:
Base-Base interactions energy: -127.022
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.044
local terms energy: -76.476055
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -16.791
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: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -208.182749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.182749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.182749 (E_RNA)
where:
Base-Base interactions energy: -134.592
where: short stacking energy: -60.906
Base-Backbone interact. energy: -0.783
local terms energy: -72.807985
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -206.153579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.153579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.153579 (E_RNA)
where:
Base-Base interactions energy: -136.419
where: short stacking energy: -73.069
Base-Backbone interact. energy: -0.047
local terms energy: -69.687213
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -14.013
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: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -160.393541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.393541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.393541 (E_RNA)
where:
Base-Base interactions energy: -102.652
where: short stacking energy: -61.547
Base-Backbone interact. energy: -0.279
local terms energy: -57.462535
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -166.531216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.531216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.531216 (E_RNA)
where:
Base-Base interactions energy: -105.123
where: short stacking energy: -60.504
Base-Backbone interact. energy: -0.413
local terms energy: -60.995169
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -82.262086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.262086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.262086 (E_RNA)
where:
Base-Base interactions energy: -26.485
where: short stacking energy: -26.211
Base-Backbone interact. energy: -0.134
local terms energy: -55.643687
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -109.503675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.503675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.503675 (E_RNA)
where:
Base-Base interactions energy: -60.934
where: short stacking energy: -30.744
Base-Backbone interact. energy: 0.556
local terms energy: -49.125747
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -79.749489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.749489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.749489 (E_RNA)
where:
Base-Base interactions energy: -32.735
where: short stacking energy: -23.252
Base-Backbone interact. energy: -0.377
local terms energy: -46.637926
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -4.218
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: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -220.065683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065683 (E_RNA)
where:
Base-Base interactions energy: -141.602
where: short stacking energy: -60.500
Base-Backbone interact. energy: -0.001
local terms energy: -78.462714
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -19.487
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: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -225.645655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.645655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.645655 (E_RNA)
where:
Base-Base interactions energy: -148.170
where: short stacking energy: -71.948
Base-Backbone interact. energy: -1.256
local terms energy: -76.219707
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -22.940
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: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -210.852307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.852307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.852307 (E_RNA)
where:
Base-Base interactions energy: -148.764
where: short stacking energy: -65.333
Base-Backbone interact. energy: -0.048
local terms energy: -62.040983
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -7.269
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: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -203.272506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.272506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.272506 (E_RNA)
where:
Base-Base interactions energy: -131.265
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.007
local terms energy: -72.001418
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -214.665392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.665392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.665392 (E_RNA)
where:
Base-Base interactions energy: -145.564
where: short stacking energy: -76.483
Base-Backbone interact. energy: -0.100
local terms energy: -69.000865
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -176.480503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.480503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.480503 (E_RNA)
where:
Base-Base interactions energy: -117.776
where: short stacking energy: -50.473
Base-Backbone interact. energy: -0.444
local terms energy: -58.260017
where:
bonds (distance) C4'-P energy: -5.746
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -157.496933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.496933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.496933 (E_RNA)
where:
Base-Base interactions energy: -93.028
where: short stacking energy: -56.234
Base-Backbone interact. energy: -0.136
local terms energy: -64.332863
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -80.778990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.778990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.778990 (E_RNA)
where:
Base-Base interactions energy: -35.282
where: short stacking energy: -23.980
Base-Backbone interact. energy: -1.064
local terms energy: -44.433032
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: 1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -95.359139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.359139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.359139 (E_RNA)
where:
Base-Base interactions energy: -46.640
where: short stacking energy: -31.962
Base-Backbone interact. energy: -0.223
local terms energy: -48.496972
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -74.462626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.462626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.462626 (E_RNA)
where:
Base-Base interactions energy: -30.193
where: short stacking energy: -26.767
Base-Backbone interact. energy: -0.213
local terms energy: -44.055941
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -8.654
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -221.932151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.932151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.932151 (E_RNA)
where:
Base-Base interactions energy: -149.767
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.157
local terms energy: -72.007992
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -225.692397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.692397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.692397 (E_RNA)
where:
Base-Base interactions energy: -154.577
where: short stacking energy: -73.263
Base-Backbone interact. energy: -0.318
local terms energy: -70.797296
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -219.681603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.681603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.681603 (E_RNA)
where:
Base-Base interactions energy: -147.356
where: short stacking energy: -68.528
Base-Backbone interact. energy: -0.065
local terms energy: -72.260249
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -208.011026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.011026 (E_RNA)
where:
Base-Base interactions energy: -131.014
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.254
local terms energy: -76.743215
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -198.803662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.803662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.803662 (E_RNA)
where:
Base-Base interactions energy: -131.140
where: short stacking energy: -62.496
Base-Backbone interact. energy: 0.032
local terms energy: -67.696063
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -147.767784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.767784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.767784 (E_RNA)
where:
Base-Base interactions energy: -92.030
where: short stacking energy: -37.994
Base-Backbone interact. energy: -0.300
local terms energy: -55.436938
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -130.741355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.741355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.741355 (E_RNA)
where:
Base-Base interactions energy: -81.104
where: short stacking energy: -35.965
Base-Backbone interact. energy: -0.425
local terms energy: -49.211851
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -10.278
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: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -88.486716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.486716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.486716 (E_RNA)
where:
Base-Base interactions energy: -43.779
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.160
local terms energy: -44.548123
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -84.147015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.147015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.147015 (E_RNA)
where:
Base-Base interactions energy: -36.286
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.089
local terms energy: -47.771554
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -8.626
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: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -78.472632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.472632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.472632 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -28.508
Base-Backbone interact. energy: -0.103
local terms energy: -45.691661
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: 0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -227.390883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.390883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.390883 (E_RNA)
where:
Base-Base interactions energy: -151.664
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.292
local terms energy: -75.434958
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -23.464
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: 142
Temperature: 0.950000
Total energy: -221.418949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.418949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.418949 (E_RNA)
where:
Base-Base interactions energy: -146.094
where: short stacking energy: -69.623
Base-Backbone interact. energy: -0.355
local terms energy: -74.970023
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -21.366
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: 142
Temperature: 1.000000
Total energy: -209.434114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.434114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.434114 (E_RNA)
where:
Base-Base interactions energy: -135.253
where: short stacking energy: -57.741
Base-Backbone interact. energy: -1.753
local terms energy: -72.428237
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -218.627906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.627906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.627906 (E_RNA)
where:
Base-Base interactions energy: -138.012
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.193
local terms energy: -80.422580
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -22.171
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -156.387791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.387791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.387791 (E_RNA)
where:
Base-Base interactions energy: -83.459
where: short stacking energy: -45.503
Base-Backbone interact. energy: -0.519
local terms energy: -72.409835
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -179.625925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.625925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.625925 (E_RNA)
where:
Base-Base interactions energy: -118.171
where: short stacking energy: -49.203
Base-Backbone interact. energy: -0.077
local terms energy: -61.378109
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -11.590
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: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -149.736043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.736043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.736043 (E_RNA)
where:
Base-Base interactions energy: -83.623
where: short stacking energy: -40.624
Base-Backbone interact. energy: -1.215
local terms energy: -64.898236
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -9.997
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: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -98.539774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.539774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.539774 (E_RNA)
where:
Base-Base interactions energy: -42.455
where: short stacking energy: -26.381
Base-Backbone interact. energy: 1.710
local terms energy: -57.793945
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -5.019
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: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -75.023285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.023285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.023285 (E_RNA)
where:
Base-Base interactions energy: -26.614
where: short stacking energy: -25.508
Base-Backbone interact. energy: -0.245
local terms energy: -48.164285
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -93.584625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.584625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.584625 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -28.194
Base-Backbone interact. energy: -0.818
local terms energy: -52.980404
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -218.746815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.746815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.746815 (E_RNA)
where:
Base-Base interactions energy: -139.741
where: short stacking energy: -74.742
Base-Backbone interact. energy: -0.003
local terms energy: -79.002188
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -12.894
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: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -226.008328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.008328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.008328 (E_RNA)
where:
Base-Base interactions energy: -148.387
where: short stacking energy: -69.924
Base-Backbone interact. energy: -0.000
local terms energy: -77.621420
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -21.952
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: 143
Temperature: 1.000000
Total energy: -217.408624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.408624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.408624 (E_RNA)
where:
Base-Base interactions energy: -140.604
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.031
local terms energy: -76.773448
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -202.980941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.980941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.980941 (E_RNA)
where:
Base-Base interactions energy: -141.575
where: short stacking energy: -50.955
Base-Backbone interact. energy: -0.634
local terms energy: -60.771334
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -151.792862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.792862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.792862 (E_RNA)
where:
Base-Base interactions energy: -93.216
where: short stacking energy: -47.755
Base-Backbone interact. energy: -0.196
local terms energy: -58.380683
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -6.157
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: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -196.333225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.333225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.333225 (E_RNA)
where:
Base-Base interactions energy: -128.805
where: short stacking energy: -47.895
Base-Backbone interact. energy: -0.847
local terms energy: -66.681190
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -156.646275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.646275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.646275 (E_RNA)
where:
Base-Base interactions energy: -95.984
where: short stacking energy: -47.219
Base-Backbone interact. energy: -0.848
local terms energy: -59.814603
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -98.395385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.395385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.395385 (E_RNA)
where:
Base-Base interactions energy: -39.994
where: short stacking energy: -39.994
Base-Backbone interact. energy: -0.210
local terms energy: -58.191499
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -8.938
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: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -82.265746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.265746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.265746 (E_RNA)
where:
Base-Base interactions energy: -39.183
where: short stacking energy: -34.880
Base-Backbone interact. energy: -0.009
local terms energy: -43.074270
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -92.823946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.823946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.823946 (E_RNA)
where:
Base-Base interactions energy: -39.763
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.113
local terms energy: -52.947782
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -5.535
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: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -224.142603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.142603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.142603 (E_RNA)
where:
Base-Base interactions energy: -144.659
where: short stacking energy: -68.960
Base-Backbone interact. energy: -1.451
local terms energy: -78.032418
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -20.730
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: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -218.042277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.042277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.042277 (E_RNA)
where:
Base-Base interactions energy: -139.515
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.966
local terms energy: -77.560970
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -206.875334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.875334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.875334 (E_RNA)
where:
Base-Base interactions energy: -130.836
where: short stacking energy: -57.094
Base-Backbone interact. energy: -1.371
local terms energy: -74.667840
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -209.425162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.425162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.425162 (E_RNA)
where:
Base-Base interactions energy: -144.879
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.097
local terms energy: -64.449201
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -202.076236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.076236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.076236 (E_RNA)
where:
Base-Base interactions energy: -135.337
where: short stacking energy: -54.501
Base-Backbone interact. energy: -0.514
local terms energy: -66.225543
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -157.306438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.306438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.306438 (E_RNA)
where:
Base-Base interactions energy: -94.793
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.198
local terms energy: -62.315305
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -175.647059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.647059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.647059 (E_RNA)
where:
Base-Base interactions energy: -107.336
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.108
local terms energy: -68.203226
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -90.798644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.798644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.798644 (E_RNA)
where:
Base-Base interactions energy: -46.336
where: short stacking energy: -31.214
Base-Backbone interact. energy: 0.060
local terms energy: -44.522810
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -1.698
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -85.180890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.180890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.180890 (E_RNA)
where:
Base-Base interactions energy: -37.779
where: short stacking energy: -37.779
Base-Backbone interact. energy: -0.111
local terms energy: -47.291108
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: 3.385
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: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -83.988287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.988287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.988287 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -31.052
Base-Backbone interact. energy: -0.318
local terms energy: -51.138138
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -226.656868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.656868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.656868 (E_RNA)
where:
Base-Base interactions energy: -148.224
where: short stacking energy: -70.618
Base-Backbone interact. energy: -0.000
local terms energy: -78.432243
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -218.001360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.001360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.001360 (E_RNA)
where:
Base-Base interactions energy: -142.201
where: short stacking energy: -61.357
Base-Backbone interact. energy: -1.409
local terms energy: -74.391000
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -216.648147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648147 (E_RNA)
where:
Base-Base interactions energy: -146.016
where: short stacking energy: -70.867
Base-Backbone interact. energy: -0.003
local terms energy: -70.630018
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -17.782
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -212.835331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.835331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.835331 (E_RNA)
where:
Base-Base interactions energy: -155.656
where: short stacking energy: -54.443
Base-Backbone interact. energy: -0.102
local terms energy: -57.077750
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -3.305
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: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -206.697146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.697146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.697146 (E_RNA)
where:
Base-Base interactions energy: -133.085
where: short stacking energy: -61.267
Base-Backbone interact. energy: -0.136
local terms energy: -73.476970
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -148.022969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.022969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.022969 (E_RNA)
where:
Base-Base interactions energy: -82.706
where: short stacking energy: -42.058
Base-Backbone interact. energy: -0.576
local terms energy: -64.740427
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -136.700234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.700234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.700234 (E_RNA)
where:
Base-Base interactions energy: -84.714
where: short stacking energy: -41.634
Base-Backbone interact. energy: -0.217
local terms energy: -51.769139
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -84.677543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.677543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.677543 (E_RNA)
where:
Base-Base interactions energy: -32.707
where: short stacking energy: -23.370
Base-Backbone interact. energy: -0.055
local terms energy: -51.915401
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -89.574379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574379 (E_RNA)
where:
Base-Base interactions energy: -44.980
where: short stacking energy: -28.116
Base-Backbone interact. energy: -0.160
local terms energy: -44.435294
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: 2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -69.541467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.541467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.541467 (E_RNA)
where:
Base-Base interactions energy: -21.282
where: short stacking energy: -21.282
Base-Backbone interact. energy: -0.321
local terms energy: -47.938895
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -227.305170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.305170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.305170 (E_RNA)
where:
Base-Base interactions energy: -147.370
where: short stacking energy: -76.849
Base-Backbone interact. energy: -0.004
local terms energy: -79.932053
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -22.085
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: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -220.137462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.137462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.137462 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -70.456
Base-Backbone interact. energy: -0.086
local terms energy: -77.173606
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -207.776574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.776574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.776574 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.108
local terms energy: -73.351593
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -20.972
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: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -210.399631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.399631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399631 (E_RNA)
where:
Base-Base interactions energy: -139.000
where: short stacking energy: -70.866
Base-Backbone interact. energy: 0.856
local terms energy: -72.255762
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.943
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: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -210.271593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.271593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.271593 (E_RNA)
where:
Base-Base interactions energy: -146.115
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.374
local terms energy: -63.782935
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -13.584
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: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -166.081074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.081074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.081074 (E_RNA)
where:
Base-Base interactions energy: -100.492
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.088
local terms energy: -65.501490
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -168.077182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.077182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.077182 (E_RNA)
where:
Base-Base interactions energy: -103.082
where: short stacking energy: -51.315
Base-Backbone interact. energy: -0.093
local terms energy: -64.902310
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -86.289681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.289681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.289681 (E_RNA)
where:
Base-Base interactions energy: -36.249
where: short stacking energy: -36.185
Base-Backbone interact. energy: -0.135
local terms energy: -49.905786
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -89.012466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.012466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.012466 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -31.050
Base-Backbone interact. energy: -0.288
local terms energy: -51.209343
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -8.784
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -73.151166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.151166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.151166 (E_RNA)
where:
Base-Base interactions energy: -32.337
where: short stacking energy: -31.264
Base-Backbone interact. energy: -0.221
local terms energy: -40.593510
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -6.740
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -2.151
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: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -226.201179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.201179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.201179 (E_RNA)
where:
Base-Base interactions energy: -145.306
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.246
local terms energy: -80.648979
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -20.690
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: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -217.332174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.332174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.332174 (E_RNA)
where:
Base-Base interactions energy: -147.312
where: short stacking energy: -65.240
Base-Backbone interact. energy: 0.428
local terms energy: -70.448210
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -217.160669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.160669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.160669 (E_RNA)
where:
Base-Base interactions energy: -144.029
where: short stacking energy: -77.997
Base-Backbone interact. energy: -0.166
local terms energy: -72.965036
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -200.833807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.833807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.833807 (E_RNA)
where:
Base-Base interactions energy: -135.579
where: short stacking energy: -51.552
Base-Backbone interact. energy: -0.068
local terms energy: -65.187595
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.101
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: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -211.877808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.877808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.877808 (E_RNA)
where:
Base-Base interactions energy: -143.115
where: short stacking energy: -59.469
Base-Backbone interact. energy: 0.135
local terms energy: -68.897853
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -17.923
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: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -143.366805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.366805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.366805 (E_RNA)
where:
Base-Base interactions energy: -78.377
where: short stacking energy: -39.885
Base-Backbone interact. energy: -0.051
local terms energy: -64.939397
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -154.023067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.023067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.023067 (E_RNA)
where:
Base-Base interactions energy: -96.201
where: short stacking energy: -51.976
Base-Backbone interact. energy: 1.094
local terms energy: -58.916587
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -83.355724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.355724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.355724 (E_RNA)
where:
Base-Base interactions energy: -34.686
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.090
local terms energy: -48.580269
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -78.458982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.458982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.458982 (E_RNA)
where:
Base-Base interactions energy: -27.297
where: short stacking energy: -27.297
Base-Backbone interact. energy: -0.244
local terms energy: -50.918295
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -90.357407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.357407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.357407 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -33.111
Base-Backbone interact. energy: 0.212
local terms energy: -54.832139
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -4.690
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: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -218.529758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.529758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.529758 (E_RNA)
where:
Base-Base interactions energy: -142.501
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.368
local terms energy: -75.660938
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -224.501639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.501639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.501639 (E_RNA)
where:
Base-Base interactions energy: -147.751
where: short stacking energy: -68.814
Base-Backbone interact. energy: -0.021
local terms energy: -76.729720
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -204.009671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.009671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.009671 (E_RNA)
where:
Base-Base interactions energy: -131.662
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.158
local terms energy: -72.189617
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -211.943274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.943274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.943274 (E_RNA)
where:
Base-Base interactions energy: -136.906
where: short stacking energy: -64.787
Base-Backbone interact. energy: -0.035
local terms energy: -75.002170
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -193.677892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.677892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.677892 (E_RNA)
where:
Base-Base interactions energy: -127.910
where: short stacking energy: -40.178
Base-Backbone interact. energy: -0.047
local terms energy: -65.720882
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -171.988654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.988654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.988654 (E_RNA)
where:
Base-Base interactions energy: -110.876
where: short stacking energy: -55.235
Base-Backbone interact. energy: -0.131
local terms energy: -60.981916
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -111.260801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.260801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.260801 (E_RNA)
where:
Base-Base interactions energy: -54.059
where: short stacking energy: -54.059
Base-Backbone interact. energy: -0.004
local terms energy: -57.197889
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -9.266
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: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -154.432161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.432161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.432161 (E_RNA)
where:
Base-Base interactions energy: -91.405
where: short stacking energy: -51.056
Base-Backbone interact. energy: -0.080
local terms energy: -62.947261
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -10.233
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: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -77.027206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.027206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.027206 (E_RNA)
where:
Base-Base interactions energy: -31.885
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.192
local terms energy: -44.950817
where:
bonds (distance) C4'-P energy: -3.802
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -80.439454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.439454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.439454 (E_RNA)
where:
Base-Base interactions energy: -31.199
where: short stacking energy: -31.199
Base-Backbone interact. energy: -0.021
local terms energy: -49.219499
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -225.965241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.965241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.965241 (E_RNA)
where:
Base-Base interactions energy: -144.941
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.832
local terms energy: -80.191806
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -222.294504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.294504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.294504 (E_RNA)
where:
Base-Base interactions energy: -149.896
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.017
local terms energy: -72.380677
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -8.567
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: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -200.119332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.119332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.119332 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -52.722
Base-Backbone interact. energy: -0.244
local terms energy: -67.799762
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -210.614408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.614408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.614408 (E_RNA)
where:
Base-Base interactions energy: -146.397
where: short stacking energy: -67.124
Base-Backbone interact. energy: -0.064
local terms energy: -64.153110
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -8.451
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: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -207.773885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.773885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.773885 (E_RNA)
where:
Base-Base interactions energy: -142.116
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.025
local terms energy: -65.632751
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -102.420084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.420084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.420084 (E_RNA)
where:
Base-Base interactions energy: -49.703
where: short stacking energy: -30.128
Base-Backbone interact. energy: -0.259
local terms energy: -52.458167
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -162.325409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.325409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.325409 (E_RNA)
where:
Base-Base interactions energy: -100.684
where: short stacking energy: -48.798
Base-Backbone interact. energy: 0.010
local terms energy: -61.651247
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -142.855727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.855727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.855727 (E_RNA)
where:
Base-Base interactions energy: -81.043
where: short stacking energy: -40.989
Base-Backbone interact. energy: -0.509
local terms energy: -61.303295
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -6.004
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: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -83.865568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.865568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.865568 (E_RNA)
where:
Base-Base interactions energy: -29.001
where: short stacking energy: -21.867
Base-Backbone interact. energy: -0.502
local terms energy: -54.362188
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -90.843312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.843312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.843312 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -26.133
Base-Backbone interact. energy: -1.280
local terms energy: -54.807534
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -228.244716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.244716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.244716 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -71.530
Base-Backbone interact. energy: -1.151
local terms energy: -80.770739
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -209.191324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.191324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.191324 (E_RNA)
where:
Base-Base interactions energy: -137.106
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.032
local terms energy: -72.053443
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -212.430050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.430050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.430050 (E_RNA)
where:
Base-Base interactions energy: -141.359
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.048
local terms energy: -71.022468
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.228
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: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -205.682103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.682103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.682103 (E_RNA)
where:
Base-Base interactions energy: -129.343
where: short stacking energy: -67.684
Base-Backbone interact. energy: 0.054
local terms energy: -76.392457
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -12.361
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: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -206.262026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.262026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.262026 (E_RNA)
where:
Base-Base interactions energy: -137.635
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.262
local terms energy: -68.365400
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -91.705140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.705140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.705140 (E_RNA)
where:
Base-Base interactions energy: -34.249
where: short stacking energy: -27.743
Base-Backbone interact. energy: -0.261
local terms energy: -57.195773
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -158.728622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.728622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.728622 (E_RNA)
where:
Base-Base interactions energy: -98.378
where: short stacking energy: -51.712
Base-Backbone interact. energy: -0.403
local terms energy: -59.947403
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -162.806058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.806058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.806058 (E_RNA)
where:
Base-Base interactions energy: -106.600
where: short stacking energy: -46.711
Base-Backbone interact. energy: -0.228
local terms energy: -55.978052
where:
bonds (distance) C4'-P energy: -7.813
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -9.980
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: 150
Temperature: 1.300000
Total energy: -75.015146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.015146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.015146 (E_RNA)
where:
Base-Base interactions energy: -24.906
where: short stacking energy: -24.906
Base-Backbone interact. energy: 0.065
local terms energy: -50.174373
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -12.069
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: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -83.708414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.708414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.708414 (E_RNA)
where:
Base-Base interactions energy: -35.094
where: short stacking energy: -35.094
Base-Backbone interact. energy: -0.092
local terms energy: -48.523159
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -8.923
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: 1, replica: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -229.610760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.610760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.610760 (E_RNA)
where:
Base-Base interactions energy: -148.878
where: short stacking energy: -75.350
Base-Backbone interact. energy: -1.341
local terms energy: -79.392099
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -225.121532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.121532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.121532 (E_RNA)
where:
Base-Base interactions energy: -150.411
where: short stacking energy: -65.804
Base-Backbone interact. energy: -0.103
local terms energy: -74.607514
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -20.158
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: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -210.090501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.090501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.090501 (E_RNA)
where:
Base-Base interactions energy: -136.938
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.319
local terms energy: -72.833634
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -11.455
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: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -179.004539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.004539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.004539 (E_RNA)
where:
Base-Base interactions energy: -121.031
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.290
local terms energy: -57.683728
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -168.959389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.959389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.959389 (E_RNA)
where:
Base-Base interactions energy: -111.016
where: short stacking energy: -51.968
Base-Backbone interact. energy: 0.027
local terms energy: -57.970713
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -160.807238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.807238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.807238 (E_RNA)
where:
Base-Base interactions energy: -94.478
where: short stacking energy: -46.877
Base-Backbone interact. energy: -0.243
local terms energy: -66.086141
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -9.029
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: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -94.980367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.980367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.980367 (E_RNA)
where:
Base-Base interactions energy: -38.025
where: short stacking energy: -32.636
Base-Backbone interact. energy: -0.013
local terms energy: -56.943081
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -4.414
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: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -172.912931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.912931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.912931 (E_RNA)
where:
Base-Base interactions energy: -116.753
where: short stacking energy: -49.442
Base-Backbone interact. energy: 0.401
local terms energy: -56.561622
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -14.136
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: 151
Temperature: 1.300000
Total energy: -78.735615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.735615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.735615 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -28.434
Base-Backbone interact. energy: -0.271
local terms energy: -48.101743
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: 0.520
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: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -74.201363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.201363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.201363 (E_RNA)
where:
Base-Base interactions energy: -21.659
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.019
local terms energy: -52.523276
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -223.711075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.711075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.711075 (E_RNA)
where:
Base-Base interactions energy: -149.003
where: short stacking energy: -71.840
Base-Backbone interact. energy: -0.847
local terms energy: -73.861494
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -221.474593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.474593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.474593 (E_RNA)
where:
Base-Base interactions energy: -140.606
where: short stacking energy: -66.960
Base-Backbone interact. energy: -0.053
local terms energy: -80.815527
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -13.554
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: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -215.284720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.284720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.284720 (E_RNA)
where:
Base-Base interactions energy: -143.955
where: short stacking energy: -56.177
Base-Backbone interact. energy: -1.308
local terms energy: -70.021690
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -194.564832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.564832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.564832 (E_RNA)
where:
Base-Base interactions energy: -127.667
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.099
local terms energy: -66.798435
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -166.123824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.123824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.123824 (E_RNA)
where:
Base-Base interactions energy: -100.705
where: short stacking energy: -49.775
Base-Backbone interact. energy: 0.611
local terms energy: -66.029387
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -136.949293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.949293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.949293 (E_RNA)
where:
Base-Base interactions energy: -74.124
where: short stacking energy: -44.839
Base-Backbone interact. energy: -1.990
local terms energy: -60.835083
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -8.352
flat angles P-C4'-P energy: -12.587
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: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -143.698600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.698600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.698600 (E_RNA)
where:
Base-Base interactions energy: -93.725
where: short stacking energy: -56.811
Base-Backbone interact. energy: 0.517
local terms energy: -50.489650
where:
bonds (distance) C4'-P energy: -6.061
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -95.006619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.006619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.006619 (E_RNA)
where:
Base-Base interactions energy: -41.982
where: short stacking energy: -26.548
Base-Backbone interact. energy: 0.383
local terms energy: -53.407277
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -79.619413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.619413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.619413 (E_RNA)
where:
Base-Base interactions energy: -23.821
where: short stacking energy: -20.179
Base-Backbone interact. energy: -0.830
local terms energy: -54.967692
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -0.793
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: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -85.009597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.009597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.009597 (E_RNA)
where:
Base-Base interactions energy: -26.713
where: short stacking energy: -26.713
Base-Backbone interact. energy: -0.021
local terms energy: -58.275565
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -227.468263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.468263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.468263 (E_RNA)
where:
Base-Base interactions energy: -150.850
where: short stacking energy: -69.134
Base-Backbone interact. energy: -0.000
local terms energy: -76.617968
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -220.452059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.452059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.452059 (E_RNA)
where:
Base-Base interactions energy: -145.481
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.257
local terms energy: -74.714294
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -227.598440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.598440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.598440 (E_RNA)
where:
Base-Base interactions energy: -144.311
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.855
local terms energy: -82.432622
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -172.159215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.159215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.159215 (E_RNA)
where:
Base-Base interactions energy: -108.161
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.128
local terms energy: -63.870533
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -10.844
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -199.981502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.981502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.981502 (E_RNA)
where:
Base-Base interactions energy: -135.171
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.061
local terms energy: -64.749230
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -142.125258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.125258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.125258 (E_RNA)
where:
Base-Base interactions energy: -89.976
where: short stacking energy: -46.120
Base-Backbone interact. energy: 2.195
local terms energy: -54.344465
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -136.404742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.404742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.404742 (E_RNA)
where:
Base-Base interactions energy: -74.830
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.897
local terms energy: -60.677445
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -84.534689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.534689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.534689 (E_RNA)
where:
Base-Base interactions energy: -35.535
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.154
local terms energy: -48.845779
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -4.762
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: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -89.531644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.531644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.531644 (E_RNA)
where:
Base-Base interactions energy: -32.621
where: short stacking energy: -32.248
Base-Backbone interact. energy: -0.129
local terms energy: -56.781623
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -8.797
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: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -83.443112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.443112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.443112 (E_RNA)
where:
Base-Base interactions energy: -35.174
where: short stacking energy: -28.536
Base-Backbone interact. energy: 0.325
local terms energy: -48.594476
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -227.210478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.210478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.210478 (E_RNA)
where:
Base-Base interactions energy: -150.964
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.001
local terms energy: -76.245065
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -23.021
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: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -223.511342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.511342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.511342 (E_RNA)
where:
Base-Base interactions energy: -148.841
where: short stacking energy: -63.999
Base-Backbone interact. energy: -0.036
local terms energy: -74.635062
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -189.306976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.306976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.306976 (E_RNA)
where:
Base-Base interactions energy: -118.312
where: short stacking energy: -71.140
Base-Backbone interact. energy: -0.535
local terms energy: -70.459855
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -227.036670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.036670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.036670 (E_RNA)
where:
Base-Base interactions energy: -151.136
where: short stacking energy: -78.581
Base-Backbone interact. energy: -0.260
local terms energy: -75.640239
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -21.943
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: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -207.949256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.949256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.949256 (E_RNA)
where:
Base-Base interactions energy: -131.258
where: short stacking energy: -66.432
Base-Backbone interact. energy: 0.381
local terms energy: -77.071884
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -18.371
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: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -148.740855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.740855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.740855 (E_RNA)
where:
Base-Base interactions energy: -92.997
where: short stacking energy: -46.287
Base-Backbone interact. energy: 0.291
local terms energy: -56.034947
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -110.074817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.074817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.074817 (E_RNA)
where:
Base-Base interactions energy: -47.023
where: short stacking energy: -36.399
Base-Backbone interact. energy: -0.516
local terms energy: -62.535882
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -128.043314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.043314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.043314 (E_RNA)
where:
Base-Base interactions energy: -70.785
where: short stacking energy: -34.242
Base-Backbone interact. energy: -0.231
local terms energy: -57.027395
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -5.508
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: 154
Temperature: 1.300000
Total energy: -79.568602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.568602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.568602 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -30.629
Base-Backbone interact. energy: 0.584
local terms energy: -49.523249
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -6.731
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: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -76.560269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.560269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.560269 (E_RNA)
where:
Base-Base interactions energy: -20.723
where: short stacking energy: -20.723
Base-Backbone interact. energy: -1.107
local terms energy: -54.729990
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -230.811641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.811641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.811641 (E_RNA)
where:
Base-Base interactions energy: -149.426
where: short stacking energy: -77.728
Base-Backbone interact. energy: -0.069
local terms energy: -81.316743
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -21.464
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: 155
Temperature: 0.950000
Total energy: -213.728481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.728481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.728481 (E_RNA)
where:
Base-Base interactions energy: -137.128
where: short stacking energy: -65.914
Base-Backbone interact. energy: -0.246
local terms energy: -76.354495
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -187.744118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.744118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.744118 (E_RNA)
where:
Base-Base interactions energy: -121.254
where: short stacking energy: -48.641
Base-Backbone interact. energy: -0.520
local terms energy: -65.970749
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -203.412894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.412894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.412894 (E_RNA)
where:
Base-Base interactions energy: -133.009
where: short stacking energy: -71.490
Base-Backbone interact. energy: 0.092
local terms energy: -70.495977
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -205.863607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.863607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.863607 (E_RNA)
where:
Base-Base interactions energy: -140.090
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.063
local terms energy: -65.710889
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -18.714
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: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -101.132543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.132543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.132543 (E_RNA)
where:
Base-Base interactions energy: -49.853
where: short stacking energy: -47.595
Base-Backbone interact. energy: 0.068
local terms energy: -51.347393
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -4.203
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: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -140.104239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.104239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.104239 (E_RNA)
where:
Base-Base interactions energy: -82.845
where: short stacking energy: -29.371
Base-Backbone interact. energy: -0.836
local terms energy: -56.423074
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -9.174
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: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -128.229285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.229285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.229285 (E_RNA)
where:
Base-Base interactions energy: -74.231
where: short stacking energy: -50.709
Base-Backbone interact. energy: -0.244
local terms energy: -53.754595
where:
bonds (distance) C4'-P energy: -6.955
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -87.146778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146778 (E_RNA)
where:
Base-Base interactions energy: -32.031
where: short stacking energy: -31.746
Base-Backbone interact. energy: 0.176
local terms energy: -55.291426
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -77.527628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.527628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.527628 (E_RNA)
where:
Base-Base interactions energy: -25.580
where: short stacking energy: -25.252
Base-Backbone interact. energy: -0.195
local terms energy: -51.752597
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -217.175866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.175866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.175866 (E_RNA)
where:
Base-Base interactions energy: -143.747
where: short stacking energy: -72.386
Base-Backbone interact. energy: -0.533
local terms energy: -72.895597
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -224.261580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.261580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.261580 (E_RNA)
where:
Base-Base interactions energy: -143.098
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.518
local terms energy: -80.646032
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -191.340780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.340780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.340780 (E_RNA)
where:
Base-Base interactions energy: -121.954
where: short stacking energy: -53.546
Base-Backbone interact. energy: -0.076
local terms energy: -69.310741
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -180.817378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.817378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.817378 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -59.515
Base-Backbone interact. energy: 0.491
local terms energy: -70.174061
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -207.309676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.309676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.309676 (E_RNA)
where:
Base-Base interactions energy: -141.444
where: short stacking energy: -55.118
Base-Backbone interact. energy: -0.126
local terms energy: -65.739411
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -127.224209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.224209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.224209 (E_RNA)
where:
Base-Base interactions energy: -68.398
where: short stacking energy: -36.438
Base-Backbone interact. energy: 0.642
local terms energy: -59.468557
where:
bonds (distance) C4'-P energy: -7.815
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -138.682812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.682812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.682812 (E_RNA)
where:
Base-Base interactions energy: -74.285
where: short stacking energy: -44.156
Base-Backbone interact. energy: -0.001
local terms energy: -64.397730
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -13.424
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: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -112.231819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.231819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.231819 (E_RNA)
where:
Base-Base interactions energy: -73.469
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.170
local terms energy: -38.592933
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -7.435
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -83.371556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.371556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.371556 (E_RNA)
where:
Base-Base interactions energy: -25.321
where: short stacking energy: -25.321
Base-Backbone interact. energy: -0.089
local terms energy: -57.961457
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -3.194
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: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -76.762484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.762484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.762484 (E_RNA)
where:
Base-Base interactions energy: -28.017
where: short stacking energy: -27.643
Base-Backbone interact. energy: -0.224
local terms energy: -48.521520
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -223.633460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.633460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.633460 (E_RNA)
where:
Base-Base interactions energy: -144.763
where: short stacking energy: -54.807
Base-Backbone interact. energy: -0.014
local terms energy: -78.856743
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -223.268154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.268154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.268154 (E_RNA)
where:
Base-Base interactions energy: -152.994
where: short stacking energy: -73.054
Base-Backbone interact. energy: -0.009
local terms energy: -70.265714
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -21.262
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: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -196.333974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.333974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.333974 (E_RNA)
where:
Base-Base interactions energy: -125.501
where: short stacking energy: -61.095
Base-Backbone interact. energy: -0.062
local terms energy: -70.770619
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -210.584827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.584827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.584827 (E_RNA)
where:
Base-Base interactions energy: -133.309
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.299
local terms energy: -76.976607
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -145.914505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.914505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.914505 (E_RNA)
where:
Base-Base interactions energy: -84.450
where: short stacking energy: -44.114
Base-Backbone interact. energy: -0.100
local terms energy: -61.364817
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -159.417683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.417683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.417683 (E_RNA)
where:
Base-Base interactions energy: -101.895
where: short stacking energy: -41.857
Base-Backbone interact. energy: -0.323
local terms energy: -57.199750
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -8.179
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: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -138.126686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.126686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.126686 (E_RNA)
where:
Base-Base interactions energy: -79.608
where: short stacking energy: -54.414
Base-Backbone interact. energy: -0.003
local terms energy: -58.515396
where:
bonds (distance) C4'-P energy: -7.264
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -142.590070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.590070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.590070 (E_RNA)
where:
Base-Base interactions energy: -90.575
where: short stacking energy: -46.098
Base-Backbone interact. energy: -0.005
local terms energy: -52.010415
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -90.724208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.724208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.724208 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -28.831
Base-Backbone interact. energy: -0.324
local terms energy: -54.256423
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -80.145427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.145427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.145427 (E_RNA)
where:
Base-Base interactions energy: -29.399
where: short stacking energy: -29.399
Base-Backbone interact. energy: 2.665
local terms energy: -53.411933
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -7.932
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -0.213
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: 158
Temperature: 0.900000
Total energy: -222.715588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.715588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.715588 (E_RNA)
where:
Base-Base interactions energy: -154.181
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.010
local terms energy: -68.524961
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -220.647440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.647440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.647440 (E_RNA)
where:
Base-Base interactions energy: -143.092
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.058
local terms energy: -77.497372
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -215.837278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.837278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.837278 (E_RNA)
where:
Base-Base interactions energy: -136.963
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.006
local terms energy: -78.868880
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -206.093756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.093756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.093756 (E_RNA)
where:
Base-Base interactions energy: -136.330
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.273
local terms energy: -69.490087
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -13.961
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: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -162.266141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.266141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.266141 (E_RNA)
where:
Base-Base interactions energy: -98.277
where: short stacking energy: -54.680
Base-Backbone interact. energy: -0.520
local terms energy: -63.469327
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -139.205049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.205049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.205049 (E_RNA)
where:
Base-Base interactions energy: -88.129
where: short stacking energy: -45.730
Base-Backbone interact. energy: 0.593
local terms energy: -51.668153
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -152.516892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.516892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.516892 (E_RNA)
where:
Base-Base interactions energy: -90.964
where: short stacking energy: -49.209
Base-Backbone interact. energy: -0.177
local terms energy: -61.376315
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -117.725877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.725877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.725877 (E_RNA)
where:
Base-Base interactions energy: -64.097
where: short stacking energy: -30.531
Base-Backbone interact. energy: -0.169
local terms energy: -53.459963
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -75.392474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.392474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.392474 (E_RNA)
where:
Base-Base interactions energy: -29.193
where: short stacking energy: -29.193
Base-Backbone interact. energy: -1.009
local terms energy: -45.191237
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -73.244984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.244984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.244984 (E_RNA)
where:
Base-Base interactions energy: -21.342
where: short stacking energy: -20.143
Base-Backbone interact. energy: -0.182
local terms energy: -51.720855
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -220.048715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.048715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.048715 (E_RNA)
where:
Base-Base interactions energy: -140.152
where: short stacking energy: -68.707
Base-Backbone interact. energy: -0.092
local terms energy: -79.804735
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -12.233
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: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -229.116482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.116482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.116482 (E_RNA)
where:
Base-Base interactions energy: -148.897
where: short stacking energy: -74.598
Base-Backbone interact. energy: -0.096
local terms energy: -80.124035
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -223.555818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.555818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.555818 (E_RNA)
where:
Base-Base interactions energy: -151.797
where: short stacking energy: -74.649
Base-Backbone interact. energy: 1.030
local terms energy: -72.788924
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.605
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: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -194.200507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.200507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.200507 (E_RNA)
where:
Base-Base interactions energy: -119.338
where: short stacking energy: -46.658
Base-Backbone interact. energy: -0.780
local terms energy: -74.082673
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -189.781266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.781266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.781266 (E_RNA)
where:
Base-Base interactions energy: -125.265
where: short stacking energy: -69.475
Base-Backbone interact. energy: -0.001
local terms energy: -64.515123
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -17.575
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: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -138.034336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.034336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.034336 (E_RNA)
where:
Base-Base interactions energy: -80.477
where: short stacking energy: -48.507
Base-Backbone interact. energy: -0.379
local terms energy: -57.177714
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -137.409476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.409476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.409476 (E_RNA)
where:
Base-Base interactions energy: -79.676
where: short stacking energy: -44.322
Base-Backbone interact. energy: -0.033
local terms energy: -57.701031
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -119.043507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.043507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.043507 (E_RNA)
where:
Base-Base interactions energy: -72.651
where: short stacking energy: -37.040
Base-Backbone interact. energy: 0.134
local terms energy: -46.526259
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -85.195115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.195115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.195115 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -32.766
Base-Backbone interact. energy: 0.082
local terms energy: -47.691758
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -91.419278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.419278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.419278 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -39.025
Base-Backbone interact. energy: -0.037
local terms energy: -52.357503
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -5.131
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: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -223.252823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.252823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.252823 (E_RNA)
where:
Base-Base interactions energy: -146.226
where: short stacking energy: -76.048
Base-Backbone interact. energy: -0.613
local terms energy: -76.413361
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -24.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -220.875908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.875908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.875908 (E_RNA)
where:
Base-Base interactions energy: -138.535
where: short stacking energy: -65.432
Base-Backbone interact. energy: -0.017
local terms energy: -82.323802
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -215.776638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.776638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.776638 (E_RNA)
where:
Base-Base interactions energy: -140.852
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.006
local terms energy: -74.918802
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -194.238384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.238384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.238384 (E_RNA)
where:
Base-Base interactions energy: -130.449
where: short stacking energy: -51.229
Base-Backbone interact. energy: -0.502
local terms energy: -63.286996
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -214.442912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.442912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.442912 (E_RNA)
where:
Base-Base interactions energy: -140.962
where: short stacking energy: -73.369
Base-Backbone interact. energy: -0.002
local terms energy: -73.478778
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -152.490938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.490938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.490938 (E_RNA)
where:
Base-Base interactions energy: -89.054
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.354
local terms energy: -63.082725
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -136.547773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.547773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.547773 (E_RNA)
where:
Base-Base interactions energy: -82.060
where: short stacking energy: -42.870
Base-Backbone interact. energy: -1.017
local terms energy: -53.470536
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -83.038945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.038945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.038945 (E_RNA)
where:
Base-Base interactions energy: -30.420
where: short stacking energy: -19.871
Base-Backbone interact. energy: -0.468
local terms energy: -52.150790
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -11.408
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: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -86.274943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.274943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.274943 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -33.180
Base-Backbone interact. energy: -0.116
local terms energy: -51.148489
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -93.732888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.732888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.732888 (E_RNA)
where:
Base-Base interactions energy: -46.112
where: short stacking energy: -34.764
Base-Backbone interact. energy: -0.920
local terms energy: -46.700889
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: 5.887
tors. eta vs tors. theta energy: -10.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -232.010543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.010543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.010543 (E_RNA)
where:
Base-Base interactions energy: -144.323
where: short stacking energy: -74.782
Base-Backbone interact. energy: -0.045
local terms energy: -87.642683
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -221.509557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.509557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.509557 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.001
local terms energy: -82.236574
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -207.261366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.261366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.261366 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.057
local terms energy: -70.901954
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -19.392
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: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -200.819321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.819321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.819321 (E_RNA)
where:
Base-Base interactions energy: -134.970
where: short stacking energy: -49.021
Base-Backbone interact. energy: -0.226
local terms energy: -65.623992
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -190.694699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.694699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.694699 (E_RNA)
where:
Base-Base interactions energy: -129.023
where: short stacking energy: -56.234
Base-Backbone interact. energy: -0.090
local terms energy: -61.581603
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -152.878310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.878310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.878310 (E_RNA)
where:
Base-Base interactions energy: -89.805
where: short stacking energy: -54.685
Base-Backbone interact. energy: 0.606
local terms energy: -63.679345
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -11.739
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: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -135.559460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.559460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.559460 (E_RNA)
where:
Base-Base interactions energy: -84.354
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.369
local terms energy: -50.836864
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -8.109
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: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -84.409383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.409383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.409383 (E_RNA)
where:
Base-Base interactions energy: -28.370
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.089
local terms energy: -55.950379
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -80.863534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.863534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.863534 (E_RNA)
where:
Base-Base interactions energy: -34.625
where: short stacking energy: -30.548
Base-Backbone interact. energy: -0.046
local terms energy: -46.192114
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -82.020571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.020571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.020571 (E_RNA)
where:
Base-Base interactions energy: -37.223
where: short stacking energy: -20.367
Base-Backbone interact. energy: -0.239
local terms energy: -44.558642
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -5.881
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: 0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -218.141897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.141897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.141897 (E_RNA)
where:
Base-Base interactions energy: -139.446
where: short stacking energy: -70.914
Base-Backbone interact. energy: -0.635
local terms energy: -78.061332
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -220.476735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.476735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.476735 (E_RNA)
where:
Base-Base interactions energy: -150.168
where: short stacking energy: -67.924
Base-Backbone interact. energy: -0.286
local terms energy: -70.023409
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -16.111
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: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -187.349816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.349816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.349816 (E_RNA)
where:
Base-Base interactions energy: -118.333
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.389
local terms energy: -68.628292
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -207.113981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.113981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.113981 (E_RNA)
where:
Base-Base interactions energy: -139.167
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.162
local terms energy: -67.784992
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -191.997170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.997170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.997170 (E_RNA)
where:
Base-Base interactions energy: -122.546
where: short stacking energy: -55.921
Base-Backbone interact. energy: -1.705
local terms energy: -67.746458
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -140.643349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.643349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.643349 (E_RNA)
where:
Base-Base interactions energy: -80.850
where: short stacking energy: -38.225
Base-Backbone interact. energy: 0.125
local terms energy: -59.918340
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -11.935
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: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -142.004025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.004025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.004025 (E_RNA)
where:
Base-Base interactions energy: -84.410
where: short stacking energy: -44.660
Base-Backbone interact. energy: -0.669
local terms energy: -56.925055
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -79.271386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.271386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.271386 (E_RNA)
where:
Base-Base interactions energy: -39.419
where: short stacking energy: -39.419
Base-Backbone interact. energy: -0.124
local terms energy: -39.727904
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -2.863
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: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -82.260420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.260420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.260420 (E_RNA)
where:
Base-Base interactions energy: -30.502
where: short stacking energy: -26.077
Base-Backbone interact. energy: -0.079
local terms energy: -51.679566
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -76.827343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.827343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.827343 (E_RNA)
where:
Base-Base interactions energy: -27.180
where: short stacking energy: -27.180
Base-Backbone interact. energy: 0.061
local terms energy: -49.708031
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -220.797981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.797981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.797981 (E_RNA)
where:
Base-Base interactions energy: -149.191
where: short stacking energy: -71.551
Base-Backbone interact. energy: -0.005
local terms energy: -71.602242
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -223.256238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.256238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.256238 (E_RNA)
where:
Base-Base interactions energy: -149.173
where: short stacking energy: -77.509
Base-Backbone interact. energy: -0.001
local terms energy: -74.082093
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -10.093
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: 163
Temperature: 1.000000
Total energy: -173.667546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.667546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.667546 (E_RNA)
where:
Base-Base interactions energy: -105.549
where: short stacking energy: -55.234
Base-Backbone interact. energy: 0.097
local terms energy: -68.215370
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.550
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: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -204.374267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.374267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.374267 (E_RNA)
where:
Base-Base interactions energy: -142.667
where: short stacking energy: -48.738
Base-Backbone interact. energy: 0.205
local terms energy: -61.911953
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -7.537
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: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -187.895713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.895713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.895713 (E_RNA)
where:
Base-Base interactions energy: -123.691
where: short stacking energy: -53.140
Base-Backbone interact. energy: -0.036
local terms energy: -64.168275
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.419
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: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -161.174372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.174372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.174372 (E_RNA)
where:
Base-Base interactions energy: -98.124
where: short stacking energy: -49.503
Base-Backbone interact. energy: -0.673
local terms energy: -62.376731
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -4.620
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: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -143.140545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.140545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.140545 (E_RNA)
where:
Base-Base interactions energy: -88.395
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.012
local terms energy: -54.733883
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -6.341
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: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -85.088979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.088979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.088979 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.116
local terms energy: -54.088733
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -87.838047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.838047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.838047 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -37.291
Base-Backbone interact. energy: 0.347
local terms energy: -50.893886
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -6.862
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -10.180
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: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -77.770800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.770800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.770800 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -31.017
Base-Backbone interact. energy: -0.212
local terms energy: -46.725608
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -6.717
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -224.317411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.317411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.317411 (E_RNA)
where:
Base-Base interactions energy: -153.914
where: short stacking energy: -78.900
Base-Backbone interact. energy: -0.044
local terms energy: -70.359467
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -5.922
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: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -220.549094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.549094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.549094 (E_RNA)
where:
Base-Base interactions energy: -145.323
where: short stacking energy: -71.087
Base-Backbone interact. energy: -0.685
local terms energy: -74.540960
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -10.615
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: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -212.186419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.186419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.186419 (E_RNA)
where:
Base-Base interactions energy: -140.765
where: short stacking energy: -60.937
Base-Backbone interact. energy: -0.166
local terms energy: -71.255344
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -173.469601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.469601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.469601 (E_RNA)
where:
Base-Base interactions energy: -102.326
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.185
local terms energy: -70.958131
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -13.282
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: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -169.849021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.849021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.849021 (E_RNA)
where:
Base-Base interactions energy: -99.780
where: short stacking energy: -47.635
Base-Backbone interact. energy: -0.326
local terms energy: -69.743558
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -191.955085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.955085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.955085 (E_RNA)
where:
Base-Base interactions energy: -132.424
where: short stacking energy: -63.665
Base-Backbone interact. energy: -0.023
local terms energy: -59.507863
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -9.053
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -143.729380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.729380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.729380 (E_RNA)
where:
Base-Base interactions energy: -84.739
where: short stacking energy: -49.090
Base-Backbone interact. energy: -0.029
local terms energy: -58.961752
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -83.177248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.177248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.177248 (E_RNA)
where:
Base-Base interactions energy: -32.689
where: short stacking energy: -32.689
Base-Backbone interact. energy: -0.257
local terms energy: -50.230899
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -84.321345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.321345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.321345 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -36.586
Base-Backbone interact. energy: -0.039
local terms energy: -47.696259
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -79.716310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.716310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.716310 (E_RNA)
where:
Base-Base interactions energy: -24.594
where: short stacking energy: -24.594
Base-Backbone interact. energy: -0.354
local terms energy: -54.767570
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.234
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: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -229.377606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.377606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.377606 (E_RNA)
where:
Base-Base interactions energy: -150.104
where: short stacking energy: -71.605
Base-Backbone interact. energy: -0.006
local terms energy: -79.267907
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -13.559
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: 165
Temperature: 0.950000
Total energy: -219.711635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.711635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.711635 (E_RNA)
where:
Base-Base interactions energy: -144.160
where: short stacking energy: -70.891
Base-Backbone interact. energy: -0.068
local terms energy: -75.483744
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -211.543539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.543539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.543539 (E_RNA)
where:
Base-Base interactions energy: -141.258
where: short stacking energy: -48.711
Base-Backbone interact. energy: -1.021
local terms energy: -69.264019
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -16.081
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -174.814076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.814076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.814076 (E_RNA)
where:
Base-Base interactions energy: -100.209
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.162
local terms energy: -74.443538
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -14.971
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: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -170.273558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.273558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.273558 (E_RNA)
where:
Base-Base interactions energy: -111.584
where: short stacking energy: -53.603
Base-Backbone interact. energy: -0.141
local terms energy: -58.549219
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -7.751
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: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -185.470410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.470410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.470410 (E_RNA)
where:
Base-Base interactions energy: -114.736
where: short stacking energy: -53.347
Base-Backbone interact. energy: -0.348
local terms energy: -70.386660
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -13.340
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: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -135.316797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.316797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.316797 (E_RNA)
where:
Base-Base interactions energy: -69.363
where: short stacking energy: -35.405
Base-Backbone interact. energy: -0.125
local terms energy: -65.828877
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -86.581829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.581829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.581829 (E_RNA)
where:
Base-Base interactions energy: -41.369
where: short stacking energy: -28.342
Base-Backbone interact. energy: 0.643
local terms energy: -45.856402
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -83.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908162 (E_RNA)
where:
Base-Base interactions energy: -32.642
where: short stacking energy: -19.526
Base-Backbone interact. energy: 0.530
local terms energy: -51.796425
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -81.122863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.122863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.122863 (E_RNA)
where:
Base-Base interactions energy: -25.418
where: short stacking energy: -21.493
Base-Backbone interact. energy: -0.104
local terms energy: -55.601391
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: 3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -223.887785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.887785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.887785 (E_RNA)
where:
Base-Base interactions energy: -150.360
where: short stacking energy: -61.325
Base-Backbone interact. energy: -0.994
local terms energy: -72.534130
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -220.838459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.838459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.838459 (E_RNA)
where:
Base-Base interactions energy: -142.723
where: short stacking energy: -67.490
Base-Backbone interact. energy: -0.743
local terms energy: -77.372340
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -205.075499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.075499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.075499 (E_RNA)
where:
Base-Base interactions energy: -140.220
where: short stacking energy: -53.564
Base-Backbone interact. energy: -0.318
local terms energy: -64.536764
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -6.762
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: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -168.661484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.661484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.661484 (E_RNA)
where:
Base-Base interactions energy: -111.583
where: short stacking energy: -48.757
Base-Backbone interact. energy: -0.097
local terms energy: -56.980970
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -186.948690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.948690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.948690 (E_RNA)
where:
Base-Base interactions energy: -124.790
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.075
local terms energy: -62.083929
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -166.445075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.445075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.445075 (E_RNA)
where:
Base-Base interactions energy: -106.328
where: short stacking energy: -53.855
Base-Backbone interact. energy: -0.075
local terms energy: -60.042080
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -129.150728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.150728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.150728 (E_RNA)
where:
Base-Base interactions energy: -62.417
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.711
local terms energy: -66.023119
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -137.882658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.882658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.882658 (E_RNA)
where:
Base-Base interactions energy: -81.655
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.093
local terms energy: -56.134644
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -6.102
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: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -90.575161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.575161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.575161 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -26.854
Base-Backbone interact. energy: -0.262
local terms energy: -48.612597
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -86.013030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.013030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.013030 (E_RNA)
where:
Base-Base interactions energy: -42.855
where: short stacking energy: -26.714
Base-Backbone interact. energy: -0.124
local terms energy: -43.033917
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: 5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -225.254779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.254779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.254779 (E_RNA)
where:
Base-Base interactions energy: -146.484
where: short stacking energy: -55.964
Base-Backbone interact. energy: -2.239
local terms energy: -76.531218
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -218.871927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.871927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.871927 (E_RNA)
where:
Base-Base interactions energy: -145.463
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.822
local terms energy: -72.586966
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -198.710462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.710462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.710462 (E_RNA)
where:
Base-Base interactions energy: -133.880
where: short stacking energy: -45.304
Base-Backbone interact. energy: 0.159
local terms energy: -64.989333
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -14.641
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: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -194.818754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.818754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.818754 (E_RNA)
where:
Base-Base interactions energy: -125.601
where: short stacking energy: -62.400
Base-Backbone interact. energy: -0.104
local terms energy: -69.113978
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -153.632794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.632794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.632794 (E_RNA)
where:
Base-Base interactions energy: -90.876
where: short stacking energy: -45.152
Base-Backbone interact. energy: -0.110
local terms energy: -62.645991
where:
bonds (distance) C4'-P energy: -8.987
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -16.356
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: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -147.412378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.412378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.412378 (E_RNA)
where:
Base-Base interactions energy: -103.583
where: short stacking energy: -38.434
Base-Backbone interact. energy: -0.434
local terms energy: -43.395952
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -108.571841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.571841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.571841 (E_RNA)
where:
Base-Base interactions energy: -53.193
where: short stacking energy: -31.042
Base-Backbone interact. energy: -0.076
local terms energy: -55.303243
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -155.801551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.801551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.801551 (E_RNA)
where:
Base-Base interactions energy: -96.382
where: short stacking energy: -42.308
Base-Backbone interact. energy: -0.081
local terms energy: -59.339155
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -73.966186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.966186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.966186 (E_RNA)
where:
Base-Base interactions energy: -31.178
where: short stacking energy: -23.077
Base-Backbone interact. energy: 4.032
local terms energy: -46.820277
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -81.311040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.311040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.311040 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.355
local terms energy: -44.040479
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -225.744036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.744036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.744036 (E_RNA)
where:
Base-Base interactions energy: -146.624
where: short stacking energy: -73.798
Base-Backbone interact. energy: -0.017
local terms energy: -79.103148
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -225.547337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.547337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.547337 (E_RNA)
where:
Base-Base interactions energy: -148.498
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.080
local terms energy: -76.969603
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -13.249
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: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -200.673987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.673987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.673987 (E_RNA)
where:
Base-Base interactions energy: -125.223
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.257
local terms energy: -75.194082
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -212.611118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.611118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.611118 (E_RNA)
where:
Base-Base interactions energy: -148.664
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.067
local terms energy: -63.879311
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -147.403570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.403570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.403570 (E_RNA)
where:
Base-Base interactions energy: -79.952
where: short stacking energy: -50.098
Base-Backbone interact. energy: -0.617
local terms energy: -66.834610
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -162.716504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.716504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.716504 (E_RNA)
where:
Base-Base interactions energy: -103.673
where: short stacking energy: -44.871
Base-Backbone interact. energy: -0.768
local terms energy: -58.275818
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -4.954
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: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -149.042032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.042032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.042032 (E_RNA)
where:
Base-Base interactions energy: -93.950
where: short stacking energy: -38.694
Base-Backbone interact. energy: -0.119
local terms energy: -54.973307
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -4.240
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: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -85.120000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.120000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.120000 (E_RNA)
where:
Base-Base interactions energy: -40.049
where: short stacking energy: -36.498
Base-Backbone interact. energy: -0.068
local terms energy: -45.003657
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -81.845377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.845377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.845377 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -25.850
Base-Backbone interact. energy: -0.141
local terms energy: -46.945166
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -74.824196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.824196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.824196 (E_RNA)
where:
Base-Base interactions energy: -27.363
where: short stacking energy: -22.873
Base-Backbone interact. energy: 0.381
local terms energy: -47.842058
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: 1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -226.376273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.376273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.376273 (E_RNA)
where:
Base-Base interactions energy: -141.728
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.738
local terms energy: -83.910536
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -20.527
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: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -221.566753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.566753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.566753 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -65.359
Base-Backbone interact. energy: -1.340
local terms energy: -78.562400
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -204.272142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.272142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.272142 (E_RNA)
where:
Base-Base interactions energy: -131.592
where: short stacking energy: -54.527
Base-Backbone interact. energy: -0.115
local terms energy: -72.565030
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -14.304
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: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -209.802081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.802081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.802081 (E_RNA)
where:
Base-Base interactions energy: -153.263
where: short stacking energy: -59.581
Base-Backbone interact. energy: -0.096
local terms energy: -56.442967
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -189.086054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.086054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.086054 (E_RNA)
where:
Base-Base interactions energy: -120.671
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.222
local terms energy: -68.192443
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -8.952
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: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -131.728988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.728988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.728988 (E_RNA)
where:
Base-Base interactions energy: -92.230
where: short stacking energy: -33.463
Base-Backbone interact. energy: -0.314
local terms energy: -39.184738
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -174.517675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.517675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.517675 (E_RNA)
where:
Base-Base interactions energy: -107.117
where: short stacking energy: -54.348
Base-Backbone interact. energy: -0.640
local terms energy: -66.760298
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -100.320143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.320143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.320143 (E_RNA)
where:
Base-Base interactions energy: -42.686
where: short stacking energy: -43.136
Base-Backbone interact. energy: -0.614
local terms energy: -57.019720
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -76.364468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.364468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.364468 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.038
local terms energy: -43.417201
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -5.233
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: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -83.159563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.159563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.159563 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.199
local terms energy: -48.385122
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -5.488
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: 170
Temperature: 0.900000
Total energy: -222.991083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.991083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991083 (E_RNA)
where:
Base-Base interactions energy: -145.015
where: short stacking energy: -67.482
Base-Backbone interact. energy: -1.899
local terms energy: -76.077141
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -228.595805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.595805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.595805 (E_RNA)
where:
Base-Base interactions energy: -145.268
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.333
local terms energy: -82.995411
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -214.471291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.471291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.471291 (E_RNA)
where:
Base-Base interactions energy: -140.833
where: short stacking energy: -51.558
Base-Backbone interact. energy: -1.482
local terms energy: -72.155726
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -11.534
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: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -204.930270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.930270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.930270 (E_RNA)
where:
Base-Base interactions energy: -139.208
where: short stacking energy: -68.261
Base-Backbone interact. energy: -0.947
local terms energy: -64.775599
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -203.171111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.171111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.171111 (E_RNA)
where:
Base-Base interactions energy: -125.120
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.001
local terms energy: -78.049734
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -18.184
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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -146.885494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.885494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.885494 (E_RNA)
where:
Base-Base interactions energy: -92.902
where: short stacking energy: -48.208
Base-Backbone interact. energy: 0.057
local terms energy: -54.040650
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -7.956
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: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -178.360786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.360786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.360786 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -52.261
Base-Backbone interact. energy: -0.121
local terms energy: -64.309465
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -13.105
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -87.791228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.791228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.791228 (E_RNA)
where:
Base-Base interactions energy: -39.458
where: short stacking energy: -31.496
Base-Backbone interact. energy: -0.140
local terms energy: -48.193735
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -97.220245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.220245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.220245 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -43.203
Base-Backbone interact. energy: -0.342
local terms energy: -52.543631
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -88.542911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.542911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.542911 (E_RNA)
where:
Base-Base interactions energy: -28.167
where: short stacking energy: -28.167
Base-Backbone interact. energy: -0.192
local terms energy: -60.184118
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -224.286049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.286049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.286049 (E_RNA)
where:
Base-Base interactions energy: -152.985
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.493
local terms energy: -70.807495
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -18.832
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: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -214.045182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.045182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.045182 (E_RNA)
where:
Base-Base interactions energy: -143.565
where: short stacking energy: -52.080
Base-Backbone interact. energy: -0.036
local terms energy: -70.443934
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -19.127
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: 171
Temperature: 1.000000
Total energy: -223.443547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.443547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.443547 (E_RNA)
where:
Base-Base interactions energy: -145.997
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.038
local terms energy: -77.407820
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -8.662
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: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -209.075438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.075438 (E_RNA)
where:
Base-Base interactions energy: -138.541
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.001
local terms energy: -70.534141
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -193.929362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.929362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.929362 (E_RNA)
where:
Base-Base interactions energy: -124.903
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.462
local terms energy: -68.564414
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -5.866
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: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -189.679704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.679704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.679704 (E_RNA)
where:
Base-Base interactions energy: -120.727
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.064
local terms energy: -68.888736
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -14.557
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: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -168.483220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.483220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.483220 (E_RNA)
where:
Base-Base interactions energy: -102.127
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.004
local terms energy: -66.352467
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -10.126
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: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -89.055930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.055930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.055930 (E_RNA)
where:
Base-Base interactions energy: -42.109
where: short stacking energy: -28.471
Base-Backbone interact. energy: -0.251
local terms energy: -46.696668
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -82.138563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.138563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.138563 (E_RNA)
where:
Base-Base interactions energy: -27.941
where: short stacking energy: -23.068
Base-Backbone interact. energy: -0.134
local terms energy: -54.062966
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -79.429165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.429165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.429165 (E_RNA)
where:
Base-Base interactions energy: -25.013
where: short stacking energy: -20.183
Base-Backbone interact. energy: -0.894
local terms energy: -53.522498
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -227.494292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.494292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.494292 (E_RNA)
where:
Base-Base interactions energy: -151.633
where: short stacking energy: -67.365
Base-Backbone interact. energy: 1.316
local terms energy: -77.177813
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -12.892
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: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -216.965193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.965193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.965193 (E_RNA)
where:
Base-Base interactions energy: -144.071
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.147
local terms energy: -72.747023
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -217.205220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.205220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.205220 (E_RNA)
where:
Base-Base interactions energy: -144.714
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.191
local terms energy: -72.300221
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -214.318982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.318982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.318982 (E_RNA)
where:
Base-Base interactions energy: -145.267
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.424
local terms energy: -68.628167
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -8.659
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -206.351058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.351058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.351058 (E_RNA)
where:
Base-Base interactions energy: -132.432
where: short stacking energy: -54.098
Base-Backbone interact. energy: -0.040
local terms energy: -73.878638
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -171.602759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.602759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.602759 (E_RNA)
where:
Base-Base interactions energy: -109.478
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.359
local terms energy: -61.765427
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -154.017135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.017135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.017135 (E_RNA)
where:
Base-Base interactions energy: -91.714
where: short stacking energy: -48.664
Base-Backbone interact. energy: -0.019
local terms energy: -62.283287
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.427
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: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -96.703899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.703899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.703899 (E_RNA)
where:
Base-Base interactions energy: -50.282
where: short stacking energy: -20.988
Base-Backbone interact. energy: -0.237
local terms energy: -46.184997
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -84.907265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.907265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.907265 (E_RNA)
where:
Base-Base interactions energy: -36.466
where: short stacking energy: -34.765
Base-Backbone interact. energy: -0.072
local terms energy: -48.368731
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -0.893
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -72.601425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.601425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.601425 (E_RNA)
where:
Base-Base interactions energy: -26.479
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.030
local terms energy: -46.092305
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -8.405
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: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -232.672235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.672235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.672235 (E_RNA)
where:
Base-Base interactions energy: -153.361
where: short stacking energy: -83.085
Base-Backbone interact. energy: -0.000
local terms energy: -79.311383
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -22.040
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: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -213.334721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.334721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.334721 (E_RNA)
where:
Base-Base interactions energy: -145.304
where: short stacking energy: -53.250
Base-Backbone interact. energy: 0.614
local terms energy: -68.644487
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -205.767667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.767667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.767667 (E_RNA)
where:
Base-Base interactions energy: -143.863
where: short stacking energy: -54.922
Base-Backbone interact. energy: -1.825
local terms energy: -60.080312
where:
bonds (distance) C4'-P energy: -0.242
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -214.854831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.854831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.854831 (E_RNA)
where:
Base-Base interactions energy: -145.081
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.130
local terms energy: -69.643512
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -9.996
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: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -211.558695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.558695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.558695 (E_RNA)
where:
Base-Base interactions energy: -135.913
where: short stacking energy: -65.627
Base-Backbone interact. energy: -1.341
local terms energy: -74.304620
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -142.982133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.982133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.982133 (E_RNA)
where:
Base-Base interactions energy: -88.260
where: short stacking energy: -49.145
Base-Backbone interact. energy: -0.830
local terms energy: -53.891916
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -172.906064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.906064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.906064 (E_RNA)
where:
Base-Base interactions energy: -109.161
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.008
local terms energy: -63.737271
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -81.263052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.263052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.263052 (E_RNA)
where:
Base-Base interactions energy: -35.456
where: short stacking energy: -26.892
Base-Backbone interact. energy: -0.033
local terms energy: -45.774213
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -94.505653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.505653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.505653 (E_RNA)
where:
Base-Base interactions energy: -41.687
where: short stacking energy: -30.084
Base-Backbone interact. energy: -0.445
local terms energy: -52.374286
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -77.366554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.366554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.366554 (E_RNA)
where:
Base-Base interactions energy: -33.226
where: short stacking energy: -27.154
Base-Backbone interact. energy: 0.761
local terms energy: -44.901403
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: 2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -220.482741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482741 (E_RNA)
where:
Base-Base interactions energy: -136.895
where: short stacking energy: -67.584
Base-Backbone interact. energy: -0.294
local terms energy: -83.293927
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -224.984876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.984876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.984876 (E_RNA)
where:
Base-Base interactions energy: -144.996
where: short stacking energy: -78.266
Base-Backbone interact. energy: 0.062
local terms energy: -80.051321
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -215.032221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.032221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.032221 (E_RNA)
where:
Base-Base interactions energy: -143.195
where: short stacking energy: -52.934
Base-Backbone interact. energy: -0.388
local terms energy: -71.448463
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -212.290307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.290307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.290307 (E_RNA)
where:
Base-Base interactions energy: -143.650
where: short stacking energy: -56.446
Base-Backbone interact. energy: -1.788
local terms energy: -66.852322
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -204.121876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.121876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.121876 (E_RNA)
where:
Base-Base interactions energy: -129.039
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.002
local terms energy: -75.080855
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -8.986
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: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -153.855033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.855033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.855033 (E_RNA)
where:
Base-Base interactions energy: -87.142
where: short stacking energy: -51.078
Base-Backbone interact. energy: 0.627
local terms energy: -67.340976
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -191.718443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.718443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.718443 (E_RNA)
where:
Base-Base interactions energy: -133.968
where: short stacking energy: -53.499
Base-Backbone interact. energy: -0.052
local terms energy: -57.698661
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -5.179
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: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -97.096482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.096482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.096482 (E_RNA)
where:
Base-Base interactions energy: -49.984
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.801
local terms energy: -46.311765
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -5.571
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -5.690
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: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -89.357622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.357622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.357622 (E_RNA)
where:
Base-Base interactions energy: -35.732
where: short stacking energy: -31.080
Base-Backbone interact. energy: 1.079
local terms energy: -54.704916
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -79.106257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.106257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.106257 (E_RNA)
where:
Base-Base interactions energy: -24.725
where: short stacking energy: -23.784
Base-Backbone interact. energy: -0.755
local terms energy: -53.626189
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -224.078625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.078625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.078625 (E_RNA)
where:
Base-Base interactions energy: -141.923
where: short stacking energy: -68.068
Base-Backbone interact. energy: -0.139
local terms energy: -82.016513
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -208.213061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.213061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.213061 (E_RNA)
where:
Base-Base interactions energy: -142.715
where: short stacking energy: -51.348
Base-Backbone interact. energy: -1.098
local terms energy: -64.400129
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -219.188117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.188117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.188117 (E_RNA)
where:
Base-Base interactions energy: -146.806
where: short stacking energy: -72.952
Base-Backbone interact. energy: -0.338
local terms energy: -72.044692
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -18.393
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: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -211.984226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.984226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.984226 (E_RNA)
where:
Base-Base interactions energy: -147.511
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.349
local terms energy: -64.124036
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.862
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: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -210.556175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.556175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.556175 (E_RNA)
where:
Base-Base interactions energy: -135.325
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.007
local terms energy: -75.223397
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -191.749921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.749921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.749921 (E_RNA)
where:
Base-Base interactions energy: -121.548
where: short stacking energy: -57.868
Base-Backbone interact. energy: -0.017
local terms energy: -70.185237
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -146.641484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.641484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.641484 (E_RNA)
where:
Base-Base interactions energy: -96.847
where: short stacking energy: -44.848
Base-Backbone interact. energy: -0.243
local terms energy: -49.551382
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -102.233503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.233503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.233503 (E_RNA)
where:
Base-Base interactions energy: -46.698
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.616
local terms energy: -54.920163
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -78.881537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.881537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.881537 (E_RNA)
where:
Base-Base interactions energy: -29.496
where: short stacking energy: -29.496
Base-Backbone interact. energy: -0.072
local terms energy: -49.313190
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -83.743429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.743429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.743429 (E_RNA)
where:
Base-Base interactions energy: -38.141
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.456
local terms energy: -45.146984
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -219.140199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.140199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.140199 (E_RNA)
where:
Base-Base interactions energy: -140.149
where: short stacking energy: -56.420
Base-Backbone interact. energy: -0.011
local terms energy: -78.980250
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -10.807
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -215.179020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.179020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.179020 (E_RNA)
where:
Base-Base interactions energy: -132.797
where: short stacking energy: -68.739
Base-Backbone interact. energy: -0.059
local terms energy: -82.323223
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -210.591873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.591873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.591873 (E_RNA)
where:
Base-Base interactions energy: -136.200
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.051
local terms energy: -74.340349
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -9.898
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: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -204.627337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.627337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.627337 (E_RNA)
where:
Base-Base interactions energy: -131.023
where: short stacking energy: -54.596
Base-Backbone interact. energy: -0.240
local terms energy: -73.363915
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -21.663
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: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -207.447672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.447672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.447672 (E_RNA)
where:
Base-Base interactions energy: -129.532
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.002
local terms energy: -77.914087
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -209.914539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.914539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.914539 (E_RNA)
where:
Base-Base interactions energy: -139.138
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.824
local terms energy: -69.951745
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -9.496
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: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -157.603697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.603697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.603697 (E_RNA)
where:
Base-Base interactions energy: -92.937
where: short stacking energy: -48.557
Base-Backbone interact. energy: -0.102
local terms energy: -64.564709
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -96.102880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.102880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.102880 (E_RNA)
where:
Base-Base interactions energy: -47.401
where: short stacking energy: -25.984
Base-Backbone interact. energy: 1.143
local terms energy: -49.845009
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -82.131141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.131141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.131141 (E_RNA)
where:
Base-Base interactions energy: -26.002
where: short stacking energy: -26.002
Base-Backbone interact. energy: -0.022
local terms energy: -56.107175
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -73.337239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.337239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.337239 (E_RNA)
where:
Base-Base interactions energy: -24.922
where: short stacking energy: -24.736
Base-Backbone interact. energy: 1.647
local terms energy: -50.061642
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -225.478524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.478524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.478524 (E_RNA)
where:
Base-Base interactions energy: -154.076
where: short stacking energy: -57.992
Base-Backbone interact. energy: 0.315
local terms energy: -71.717613
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -222.032301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.032301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.032301 (E_RNA)
where:
Base-Base interactions energy: -140.411
where: short stacking energy: -64.977
Base-Backbone interact. energy: -0.758
local terms energy: -80.863103
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -210.884919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.884919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.884919 (E_RNA)
where:
Base-Base interactions energy: -138.259
where: short stacking energy: -58.501
Base-Backbone interact. energy: -0.003
local terms energy: -72.623195
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -7.817
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: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -209.942072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.942072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.942072 (E_RNA)
where:
Base-Base interactions energy: -135.673
where: short stacking energy: -62.616
Base-Backbone interact. energy: -0.004
local terms energy: -74.264249
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -12.356
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: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -201.705231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.705231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.705231 (E_RNA)
where:
Base-Base interactions energy: -135.622
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.957
local terms energy: -65.126426
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -17.696
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: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -203.095544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.095544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.095544 (E_RNA)
where:
Base-Base interactions energy: -131.752
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.356
local terms energy: -70.987096
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -11.938
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: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -136.906966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.906966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.906966 (E_RNA)
where:
Base-Base interactions energy: -76.522
where: short stacking energy: -44.094
Base-Backbone interact. energy: -0.106
local terms energy: -60.279288
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -10.947
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: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -93.862042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.862042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.862042 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -29.855
Base-Backbone interact. energy: -0.299
local terms energy: -60.981358
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -86.862566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.862566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.862566 (E_RNA)
where:
Base-Base interactions energy: -30.757
where: short stacking energy: -22.860
Base-Backbone interact. energy: -0.160
local terms energy: -55.945110
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -5.131
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: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -87.517971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.517971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.517971 (E_RNA)
where:
Base-Base interactions energy: -39.926
where: short stacking energy: -35.608
Base-Backbone interact. energy: -0.029
local terms energy: -47.562321
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -7.090
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: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -224.067276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.067276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.067276 (E_RNA)
where:
Base-Base interactions energy: -147.440
where: short stacking energy: -64.501
Base-Backbone interact. energy: -1.345
local terms energy: -75.281635
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -218.295323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.295323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.295323 (E_RNA)
where:
Base-Base interactions energy: -150.310
where: short stacking energy: -60.366
Base-Backbone interact. energy: -0.216
local terms energy: -67.769375
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -9.812
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: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -202.820693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.820693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820693 (E_RNA)
where:
Base-Base interactions energy: -139.567
where: short stacking energy: -67.820
Base-Backbone interact. energy: -0.019
local terms energy: -63.235068
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -20.355
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: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -203.402195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.402195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.402195 (E_RNA)
where:
Base-Base interactions energy: -136.837
where: short stacking energy: -61.354
Base-Backbone interact. energy: -0.009
local terms energy: -66.556102
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -207.507090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.507090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.507090 (E_RNA)
where:
Base-Base interactions energy: -133.019
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.138
local terms energy: -74.350820
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -205.440524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.440524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.440524 (E_RNA)
where:
Base-Base interactions energy: -132.688
where: short stacking energy: -65.621
Base-Backbone interact. energy: -0.091
local terms energy: -72.661031
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -92.986208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.986208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.986208 (E_RNA)
where:
Base-Base interactions energy: -32.746
where: short stacking energy: -32.746
Base-Backbone interact. energy: -0.273
local terms energy: -59.967092
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -8.193
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: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -118.307078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.307078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.307078 (E_RNA)
where:
Base-Base interactions energy: -58.154
where: short stacking energy: -33.184
Base-Backbone interact. energy: -1.047
local terms energy: -59.106351
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -84.332560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.332560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.332560 (E_RNA)
where:
Base-Base interactions energy: -26.204
where: short stacking energy: -25.344
Base-Backbone interact. energy: -0.116
local terms energy: -58.012927
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.219
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: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -81.544412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.544412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.544412 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -32.344
Base-Backbone interact. energy: -1.003
local terms energy: -44.947362
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -1.099
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -227.656429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.656429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.656429 (E_RNA)
where:
Base-Base interactions energy: -143.703
where: short stacking energy: -69.056
Base-Backbone interact. energy: -1.372
local terms energy: -82.580899
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -213.640579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.640579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.640579 (E_RNA)
where:
Base-Base interactions energy: -143.438
where: short stacking energy: -56.498
Base-Backbone interact. energy: -0.363
local terms energy: -69.838763
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -11.035
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: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -206.592759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.592759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.592759 (E_RNA)
where:
Base-Base interactions energy: -139.768
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.005
local terms energy: -66.819179
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -8.389
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: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -214.073636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.073636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.073636 (E_RNA)
where:
Base-Base interactions energy: -138.755
where: short stacking energy: -72.421
Base-Backbone interact. energy: -0.001
local terms energy: -75.318042
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -198.518379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.518379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.518379 (E_RNA)
where:
Base-Base interactions energy: -130.844
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.207
local terms energy: -67.467914
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -13.611
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: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -183.010528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.010528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.010528 (E_RNA)
where:
Base-Base interactions energy: -110.766
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.160
local terms energy: -72.084827
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -91.694037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.694037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.694037 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -37.317
Base-Backbone interact. energy: -0.128
local terms energy: -54.301654
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -7.385
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: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -79.665636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.665636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.665636 (E_RNA)
where:
Base-Base interactions energy: -28.819
where: short stacking energy: -19.698
Base-Backbone interact. energy: -0.233
local terms energy: -50.614284
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -73.625002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.625002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.625002 (E_RNA)
where:
Base-Base interactions energy: -29.448
where: short stacking energy: -25.152
Base-Backbone interact. energy: -0.203
local terms energy: -43.973206
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -73.160845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.160845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.160845 (E_RNA)
where:
Base-Base interactions energy: -26.986
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.083
local terms energy: -46.092308
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -221.841814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.841814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.841814 (E_RNA)
where:
Base-Base interactions energy: -141.533
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.075
local terms energy: -80.233376
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -21.306
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: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -226.538335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.538335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.538335 (E_RNA)
where:
Base-Base interactions energy: -144.497
where: short stacking energy: -66.325
Base-Backbone interact. energy: -1.721
local terms energy: -80.320439
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -20.423
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: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -217.893259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.893259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.893259 (E_RNA)
where:
Base-Base interactions energy: -138.909
where: short stacking energy: -78.928
Base-Backbone interact. energy: -0.010
local terms energy: -78.974986
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -10.448
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: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -216.307658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.307658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.307658 (E_RNA)
where:
Base-Base interactions energy: -140.082
where: short stacking energy: -70.000
Base-Backbone interact. energy: -0.011
local terms energy: -76.214491
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -10.532
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: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -189.470203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.470203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.470203 (E_RNA)
where:
Base-Base interactions energy: -122.792
where: short stacking energy: -53.655
Base-Backbone interact. energy: -2.488
local terms energy: -64.190536
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -146.702718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.702718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.702718 (E_RNA)
where:
Base-Base interactions energy: -83.128
where: short stacking energy: -48.126
Base-Backbone interact. energy: -0.117
local terms energy: -63.457539
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -102.992191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.992191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.992191 (E_RNA)
where:
Base-Base interactions energy: -51.093
where: short stacking energy: -45.043
Base-Backbone interact. energy: -0.733
local terms energy: -51.166354
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -4.744
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -89.442400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.442400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.442400 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -30.407
Base-Backbone interact. energy: 0.123
local terms energy: -56.429635
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -93.402931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.402931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.402931 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -37.781
Base-Backbone interact. energy: -0.225
local terms energy: -54.643368
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -7.417
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: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -79.601286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.601286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.601286 (E_RNA)
where:
Base-Base interactions energy: -33.789
where: short stacking energy: -33.612
Base-Backbone interact. energy: 0.688
local terms energy: -46.500466
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -222.640899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.640899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.640899 (E_RNA)
where:
Base-Base interactions energy: -148.635
where: short stacking energy: -62.877
Base-Backbone interact. energy: -0.004
local terms energy: -74.002251
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -224.105162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.105162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.105162 (E_RNA)
where:
Base-Base interactions energy: -147.805
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.327
local terms energy: -75.972625
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -14.365
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: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -207.364371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.364371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.364371 (E_RNA)
where:
Base-Base interactions energy: -127.827
where: short stacking energy: -54.070
Base-Backbone interact. energy: -0.050
local terms energy: -79.486752
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -214.100016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.100016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.100016 (E_RNA)
where:
Base-Base interactions energy: -141.167
where: short stacking energy: -60.951
Base-Backbone interact. energy: 0.168
local terms energy: -73.101283
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -18.724
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: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -193.893889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.893889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.893889 (E_RNA)
where:
Base-Base interactions energy: -126.263
where: short stacking energy: -56.597
Base-Backbone interact. energy: -0.772
local terms energy: -66.859214
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -158.418009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.418009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.418009 (E_RNA)
where:
Base-Base interactions energy: -109.686
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.280
local terms energy: -48.451472
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -107.781724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.781724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.781724 (E_RNA)
where:
Base-Base interactions energy: -56.128
where: short stacking energy: -27.863
Base-Backbone interact. energy: 0.320
local terms energy: -51.973220
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -87.385045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.385045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.385045 (E_RNA)
where:
Base-Base interactions energy: -28.167
where: short stacking energy: -23.150
Base-Backbone interact. energy: -0.307
local terms energy: -58.911207
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -81.635846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.635846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.635846 (E_RNA)
where:
Base-Base interactions energy: -33.195
where: short stacking energy: -21.444
Base-Backbone interact. energy: -0.124
local terms energy: -48.316680
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: 1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -75.081923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.081923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.081923 (E_RNA)
where:
Base-Base interactions energy: -29.297
where: short stacking energy: -29.297
Base-Backbone interact. energy: -0.124
local terms energy: -45.661220
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -2.019
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: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -226.919312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.919312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.919312 (E_RNA)
where:
Base-Base interactions energy: -153.704
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.002
local terms energy: -73.213318
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -212.965074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.965074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.965074 (E_RNA)
where:
Base-Base interactions energy: -140.589
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.424
local terms energy: -71.952446
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -214.879904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.879904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.879904 (E_RNA)
where:
Base-Base interactions energy: -139.247
where: short stacking energy: -61.500
Base-Backbone interact. energy: -0.535
local terms energy: -75.098272
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -20.127
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: 182
Temperature: 1.050000
Total energy: -207.128150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.128150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.128150 (E_RNA)
where:
Base-Base interactions energy: -131.077
where: short stacking energy: -56.079
Base-Backbone interact. energy: -1.284
local terms energy: -74.767121
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -18.921
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: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -197.283860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.283860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.283860 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -48.723
Base-Backbone interact. energy: -1.171
local terms energy: -59.107073
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -15.760
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: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -142.804003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.804003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.804003 (E_RNA)
where:
Base-Base interactions energy: -81.456
where: short stacking energy: -43.298
Base-Backbone interact. energy: -0.062
local terms energy: -61.285502
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -96.387030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.387030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.387030 (E_RNA)
where:
Base-Base interactions energy: -35.545
where: short stacking energy: -28.802
Base-Backbone interact. energy: -0.030
local terms energy: -60.811534
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -101.725918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.725918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.725918 (E_RNA)
where:
Base-Base interactions energy: -55.038
where: short stacking energy: -28.805
Base-Backbone interact. energy: -0.182
local terms energy: -46.506339
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -85.959551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.959551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.959551 (E_RNA)
where:
Base-Base interactions energy: -36.055
where: short stacking energy: -28.851
Base-Backbone interact. energy: -0.061
local terms energy: -49.843781
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -76.171121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.171121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.171121 (E_RNA)
where:
Base-Base interactions energy: -27.397
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.165
local terms energy: -48.609494
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -224.951352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.951352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.951352 (E_RNA)
where:
Base-Base interactions energy: -145.020
where: short stacking energy: -70.555
Base-Backbone interact. energy: -0.214
local terms energy: -79.717017
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -213.406320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.406320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.406320 (E_RNA)
where:
Base-Base interactions energy: -134.605
where: short stacking energy: -54.379
Base-Backbone interact. energy: -0.748
local terms energy: -78.052981
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -211.975447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.975447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.975447 (E_RNA)
where:
Base-Base interactions energy: -139.159
where: short stacking energy: -54.022
Base-Backbone interact. energy: -1.365
local terms energy: -71.452164
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -209.777814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.777814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.777814 (E_RNA)
where:
Base-Base interactions energy: -138.390
where: short stacking energy: -64.843
Base-Backbone interact. energy: -0.077
local terms energy: -71.310576
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -12.034
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: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -199.726481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.726481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.726481 (E_RNA)
where:
Base-Base interactions energy: -128.627
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.731
local terms energy: -70.368597
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -160.587505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.587505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.587505 (E_RNA)
where:
Base-Base interactions energy: -97.003
where: short stacking energy: -46.864
Base-Backbone interact. energy: -0.117
local terms energy: -63.467740
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -105.841255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.841255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.841255 (E_RNA)
where:
Base-Base interactions energy: -57.457
where: short stacking energy: -33.286
Base-Backbone interact. energy: -0.171
local terms energy: -48.213602
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -89.571794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.571794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.571794 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -36.052
Base-Backbone interact. energy: -0.104
local terms energy: -53.252525
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -8.921
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: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -80.175842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.175842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.175842 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -37.501
Base-Backbone interact. energy: 1.318
local terms energy: -42.643195
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -7.189
flat angles C4'-P-C4' energy: -7.097
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -89.359808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.359808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.359808 (E_RNA)
where:
Base-Base interactions energy: -48.096
where: short stacking energy: -37.312
Base-Backbone interact. energy: 1.508
local terms energy: -42.771718
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -1.318
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -230.292040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.292040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292040 (E_RNA)
where:
Base-Base interactions energy: -146.741
where: short stacking energy: -70.668
Base-Backbone interact. energy: -0.067
local terms energy: -83.484082
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -22.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -230.005990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.005990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.005990 (E_RNA)
where:
Base-Base interactions energy: -148.731
where: short stacking energy: -79.167
Base-Backbone interact. energy: -0.031
local terms energy: -81.244468
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -215.617627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.617627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.617627 (E_RNA)
where:
Base-Base interactions energy: -138.538
where: short stacking energy: -63.613
Base-Backbone interact. energy: -0.038
local terms energy: -77.041035
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -198.895460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.895460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.895460 (E_RNA)
where:
Base-Base interactions energy: -131.934
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.238
local terms energy: -66.722672
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -203.045885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.045885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.045885 (E_RNA)
where:
Base-Base interactions energy: -131.101
where: short stacking energy: -57.026
Base-Backbone interact. energy: -0.092
local terms energy: -71.852742
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -192.556460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.556460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.556460 (E_RNA)
where:
Base-Base interactions energy: -132.288
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.943
local terms energy: -59.325863
where:
bonds (distance) C4'-P energy: -8.001
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -14.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -84.415266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.415266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.415266 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -28.089
Base-Backbone interact. energy: -0.132
local terms energy: -47.832229
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -82.916878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.916878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.916878 (E_RNA)
where:
Base-Base interactions energy: -25.971
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.096
local terms energy: -56.849062
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: 0.291
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: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -80.003212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.003212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.003212 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -35.697
Base-Backbone interact. energy: 1.595
local terms energy: -44.497860
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -80.854198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.854198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.854198 (E_RNA)
where:
Base-Base interactions energy: -26.476
where: short stacking energy: -17.998
Base-Backbone interact. energy: 0.399
local terms energy: -54.777516
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -229.608674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.608674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.608674 (E_RNA)
where:
Base-Base interactions energy: -148.902
where: short stacking energy: -78.145
Base-Backbone interact. energy: -0.330
local terms energy: -80.376617
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -217.017333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.017333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.017333 (E_RNA)
where:
Base-Base interactions energy: -143.174
where: short stacking energy: -62.542
Base-Backbone interact. energy: -0.128
local terms energy: -73.715248
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -11.527
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: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -208.649789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.649789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.649789 (E_RNA)
where:
Base-Base interactions energy: -138.462
where: short stacking energy: -55.066
Base-Backbone interact. energy: 0.723
local terms energy: -70.910542
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -209.959664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.959664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.959664 (E_RNA)
where:
Base-Base interactions energy: -146.274
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.008
local terms energy: -63.677304
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -200.169736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.169736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.169736 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -64.687
Base-Backbone interact. energy: -0.730
local terms energy: -64.135934
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -10.716
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: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -201.483937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.483937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.483937 (E_RNA)
where:
Base-Base interactions energy: -137.522
where: short stacking energy: -57.366
Base-Backbone interact. energy: -0.096
local terms energy: -63.866693
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -10.879
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -102.059336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.059336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.059336 (E_RNA)
where:
Base-Base interactions energy: -55.053
where: short stacking energy: -33.323
Base-Backbone interact. energy: 0.394
local terms energy: -47.400772
where:
bonds (distance) C4'-P energy: -4.621
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -86.964115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.964115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.964115 (E_RNA)
where:
Base-Base interactions energy: -34.026
where: short stacking energy: -24.147
Base-Backbone interact. energy: 0.086
local terms energy: -53.023746
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -84.278705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.278705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.278705 (E_RNA)
where:
Base-Base interactions energy: -31.398
where: short stacking energy: -25.410
Base-Backbone interact. energy: 2.745
local terms energy: -55.626665
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -74.617386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.617386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.617386 (E_RNA)
where:
Base-Base interactions energy: -38.191
where: short stacking energy: -35.577
Base-Backbone interact. energy: -0.267
local terms energy: -36.159931
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -6.749
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: -1.800
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: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -226.713034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.713034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.713034 (E_RNA)
where:
Base-Base interactions energy: -146.863
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.149
local terms energy: -79.701667
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -207.348342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.348342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.348342 (E_RNA)
where:
Base-Base interactions energy: -140.620
where: short stacking energy: -61.210
Base-Backbone interact. energy: -0.208
local terms energy: -66.520790
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -212.625305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.625305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.625305 (E_RNA)
where:
Base-Base interactions energy: -138.765
where: short stacking energy: -65.259
Base-Backbone interact. energy: -0.003
local terms energy: -73.857166
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -13.509
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: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -211.758976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.758976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.758976 (E_RNA)
where:
Base-Base interactions energy: -137.716
where: short stacking energy: -55.143
Base-Backbone interact. energy: -1.954
local terms energy: -72.089494
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -209.486033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.486033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.486033 (E_RNA)
where:
Base-Base interactions energy: -141.618
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.113
local terms energy: -67.754187
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -197.599594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.599594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.599594 (E_RNA)
where:
Base-Base interactions energy: -130.443
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.126
local terms energy: -67.030758
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -89.029180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.029180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.029180 (E_RNA)
where:
Base-Base interactions energy: -31.743
where: short stacking energy: -31.743
Base-Backbone interact. energy: -0.572
local terms energy: -56.714440
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -12.399
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: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -85.404722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404722 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -16.390
Base-Backbone interact. energy: -0.155
local terms energy: -39.347705
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: 3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -78.945981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.945981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.945981 (E_RNA)
where:
Base-Base interactions energy: -28.089
where: short stacking energy: -26.074
Base-Backbone interact. energy: -0.052
local terms energy: -50.805262
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -74.505726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.505726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.505726 (E_RNA)
where:
Base-Base interactions energy: -22.425
where: short stacking energy: -22.425
Base-Backbone interact. energy: -0.127
local terms energy: -51.953822
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -221.121444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.121444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.121444 (E_RNA)
where:
Base-Base interactions energy: -147.687
where: short stacking energy: -70.142
Base-Backbone interact. energy: 0.893
local terms energy: -74.327763
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -216.164770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.164770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.164770 (E_RNA)
where:
Base-Base interactions energy: -140.590
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.001
local terms energy: -75.573986
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -213.304036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.304036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.304036 (E_RNA)
where:
Base-Base interactions energy: -137.557
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.085
local terms energy: -75.661530
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -212.114342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.114342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.114342 (E_RNA)
where:
Base-Base interactions energy: -142.526
where: short stacking energy: -49.773
Base-Backbone interact. energy: -1.871
local terms energy: -67.717081
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -206.814346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.814346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.814346 (E_RNA)
where:
Base-Base interactions energy: -133.406
where: short stacking energy: -54.003
Base-Backbone interact. energy: -0.619
local terms energy: -72.789163
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -13.937
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: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -199.308219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.308219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.308219 (E_RNA)
where:
Base-Base interactions energy: -130.868
where: short stacking energy: -61.647
Base-Backbone interact. energy: -1.809
local terms energy: -66.630359
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -90.725202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.725202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.725202 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -28.773
Base-Backbone interact. energy: -0.060
local terms energy: -57.887338
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -119.149413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.149413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.149413 (E_RNA)
where:
Base-Base interactions energy: -63.296
where: short stacking energy: -42.436
Base-Backbone interact. energy: -0.061
local terms energy: -55.792123
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.697
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: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -105.149414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.149414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.149414 (E_RNA)
where:
Base-Base interactions energy: -56.572
where: short stacking energy: -40.947
Base-Backbone interact. energy: -0.382
local terms energy: -48.195422
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -83.886276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.886276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.886276 (E_RNA)
where:
Base-Base interactions energy: -33.643
where: short stacking energy: -32.832
Base-Backbone interact. energy: -0.034
local terms energy: -50.209924
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -7.676
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -226.083348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.083348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.083348 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -56.794
Base-Backbone interact. energy: -1.736
local terms energy: -81.481145
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -209.272842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.272842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.272842 (E_RNA)
where:
Base-Base interactions energy: -138.560
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.004
local terms energy: -70.708609
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -210.778450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.778450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.778450 (E_RNA)
where:
Base-Base interactions energy: -140.492
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.026
local terms energy: -70.259684
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -19.287
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: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -206.394899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.394899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.394899 (E_RNA)
where:
Base-Base interactions energy: -130.792
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.001
local terms energy: -75.602491
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -204.375903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.375903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.375903 (E_RNA)
where:
Base-Base interactions energy: -132.937
where: short stacking energy: -60.882
Base-Backbone interact. energy: -0.086
local terms energy: -71.352562
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -200.285662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.285662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.285662 (E_RNA)
where:
Base-Base interactions energy: -137.886
where: short stacking energy: -52.842
Base-Backbone interact. energy: -0.386
local terms energy: -62.013753
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -13.332
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: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -113.244849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.244849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.244849 (E_RNA)
where:
Base-Base interactions energy: -63.831
where: short stacking energy: -22.793
Base-Backbone interact. energy: -0.618
local terms energy: -48.795274
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -101.826563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.826563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.826563 (E_RNA)
where:
Base-Base interactions energy: -51.270
where: short stacking energy: -47.154
Base-Backbone interact. energy: -0.252
local terms energy: -50.304220
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -82.207108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.207108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.207108 (E_RNA)
where:
Base-Base interactions energy: -31.351
where: short stacking energy: -30.814
Base-Backbone interact. energy: -0.227
local terms energy: -50.628670
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -6.093
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: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -79.755938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.755938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.755938 (E_RNA)
where:
Base-Base interactions energy: -35.793
where: short stacking energy: -25.202
Base-Backbone interact. energy: -1.070
local terms energy: -42.893122
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: 1.393
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: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -223.835857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.835857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.835857 (E_RNA)
where:
Base-Base interactions energy: -143.029
where: short stacking energy: -68.854
Base-Backbone interact. energy: -1.610
local terms energy: -79.196265
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -218.129559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.129559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.129559 (E_RNA)
where:
Base-Base interactions energy: -138.350
where: short stacking energy: -55.511
Base-Backbone interact. energy: -0.473
local terms energy: -79.307061
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -211.621360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.621360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.621360 (E_RNA)
where:
Base-Base interactions energy: -138.662
where: short stacking energy: -55.083
Base-Backbone interact. energy: -1.285
local terms energy: -71.674516
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -201.606758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.606758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.606758 (E_RNA)
where:
Base-Base interactions energy: -131.641
where: short stacking energy: -55.426
Base-Backbone interact. energy: -0.319
local terms energy: -69.646693
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -200.643023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.643023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.643023 (E_RNA)
where:
Base-Base interactions energy: -133.419
where: short stacking energy: -55.372
Base-Backbone interact. energy: -0.190
local terms energy: -67.034178
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -200.434455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.434455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.434455 (E_RNA)
where:
Base-Base interactions energy: -134.461
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.116
local terms energy: -65.857053
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -13.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -105.251891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.251891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.251891 (E_RNA)
where:
Base-Base interactions energy: -44.094
where: short stacking energy: -34.728
Base-Backbone interact. energy: -0.194
local terms energy: -60.963799
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -89.537505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.537505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.537505 (E_RNA)
where:
Base-Base interactions energy: -31.293
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.313
local terms energy: -57.932318
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -10.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -90.185952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.185952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.185952 (E_RNA)
where:
Base-Base interactions energy: -38.575
where: short stacking energy: -38.575
Base-Backbone interact. energy: -0.112
local terms energy: -51.498573
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -84.474952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.474952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.474952 (E_RNA)
where:
Base-Base interactions energy: -33.146
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.160
local terms energy: -51.168852
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -1.395
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -224.702716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.702716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.702716 (E_RNA)
where:
Base-Base interactions energy: -144.139
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.093
local terms energy: -80.471619
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -21.850
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: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -218.232198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.232198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.232198 (E_RNA)
where:
Base-Base interactions energy: -139.650
where: short stacking energy: -64.728
Base-Backbone interact. energy: -0.046
local terms energy: -78.536318
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -12.109
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: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -204.502897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.502897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.502897 (E_RNA)
where:
Base-Base interactions energy: -135.771
where: short stacking energy: -57.476
Base-Backbone interact. energy: -0.092
local terms energy: -68.639837
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.656
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: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -205.809979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.809979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.809979 (E_RNA)
where:
Base-Base interactions energy: -138.650
where: short stacking energy: -51.395
Base-Backbone interact. energy: 0.151
local terms energy: -67.311196
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.249
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: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -176.572635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.572635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.572635 (E_RNA)
where:
Base-Base interactions energy: -101.691
where: short stacking energy: -54.206
Base-Backbone interact. energy: -0.092
local terms energy: -74.789053
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -183.682149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.682149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.682149 (E_RNA)
where:
Base-Base interactions energy: -119.268
where: short stacking energy: -61.012
Base-Backbone interact. energy: -0.040
local terms energy: -64.374478
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -132.079707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.079707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.079707 (E_RNA)
where:
Base-Base interactions energy: -85.743
where: short stacking energy: -44.715
Base-Backbone interact. energy: -0.800
local terms energy: -45.536900
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -7.611
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -9.392
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: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -100.652228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.652228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.652228 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -38.027
Base-Backbone interact. energy: -0.182
local terms energy: -53.296691
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -10.625
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: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -76.988878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.988878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.988878 (E_RNA)
where:
Base-Base interactions energy: -22.382
where: short stacking energy: -22.382
Base-Backbone interact. energy: -0.430
local terms energy: -54.176776
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -85.977247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.977247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.977247 (E_RNA)
where:
Base-Base interactions energy: -30.210
where: short stacking energy: -29.147
Base-Backbone interact. energy: -0.122
local terms energy: -55.645179
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -9.158
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: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -214.603392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.603392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.603392 (E_RNA)
where:
Base-Base interactions energy: -141.040
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.018
local terms energy: -73.545238
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -21.319
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: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -221.097286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.097286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.097286 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -73.612
Base-Backbone interact. energy: -0.415
local terms energy: -81.681365
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -13.349
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: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -198.191529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.191529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.191529 (E_RNA)
where:
Base-Base interactions energy: -135.479
where: short stacking energy: -48.794
Base-Backbone interact. energy: -0.139
local terms energy: -62.573853
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -212.510609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.510609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.510609 (E_RNA)
where:
Base-Base interactions energy: -143.082
where: short stacking energy: -70.364
Base-Backbone interact. energy: -0.045
local terms energy: -69.383588
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -22.409
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: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -204.320849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.320849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.320849 (E_RNA)
where:
Base-Base interactions energy: -137.998
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.054
local terms energy: -66.268270
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -150.919335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.919335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.919335 (E_RNA)
where:
Base-Base interactions energy: -98.788
where: short stacking energy: -43.403
Base-Backbone interact. energy: -0.380
local terms energy: -51.750935
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -183.494980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.494980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.494980 (E_RNA)
where:
Base-Base interactions energy: -114.408
where: short stacking energy: -54.285
Base-Backbone interact. energy: -0.004
local terms energy: -69.083344
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -91.087309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.087309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.087309 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.057
local terms energy: -57.351499
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -11.300
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: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -82.278205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.278205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.278205 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -29.013
Base-Backbone interact. energy: -1.108
local terms energy: -48.957105
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -77.279502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.279502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.279502 (E_RNA)
where:
Base-Base interactions energy: -30.547
where: short stacking energy: -21.377
Base-Backbone interact. energy: -0.114
local terms energy: -46.618383
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: 1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -222.810973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.810973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.810973 (E_RNA)
where:
Base-Base interactions energy: -145.574
where: short stacking energy: -69.823
Base-Backbone interact. energy: -0.001
local terms energy: -77.236231
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -210.124667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.124667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.124667 (E_RNA)
where:
Base-Base interactions energy: -141.611
where: short stacking energy: -51.360
Base-Backbone interact. energy: -1.553
local terms energy: -66.960257
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -215.084963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.084963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.084963 (E_RNA)
where:
Base-Base interactions energy: -139.282
where: short stacking energy: -63.060
Base-Backbone interact. energy: -0.193
local terms energy: -75.610651
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -206.786545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.786545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.786545 (E_RNA)
where:
Base-Base interactions energy: -139.155
where: short stacking energy: -65.188
Base-Backbone interact. energy: -0.019
local terms energy: -67.612730
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -199.862189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.862189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.862189 (E_RNA)
where:
Base-Base interactions energy: -129.276
where: short stacking energy: -52.088
Base-Backbone interact. energy: -0.044
local terms energy: -70.542334
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -158.523329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.523329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.523329 (E_RNA)
where:
Base-Base interactions energy: -91.598
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.081
local terms energy: -66.843874
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -180.259718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.259718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.259718 (E_RNA)
where:
Base-Base interactions energy: -120.191
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.081
local terms energy: -59.988085
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -9.627
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: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -98.466823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.466823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.466823 (E_RNA)
where:
Base-Base interactions energy: -41.950
where: short stacking energy: -36.821
Base-Backbone interact. energy: -0.058
local terms energy: -56.458906
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -88.616430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.616430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.616430 (E_RNA)
where:
Base-Base interactions energy: -37.893
where: short stacking energy: -37.893
Base-Backbone interact. energy: -0.107
local terms energy: -50.617174
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -5.514
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: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -83.611307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.611307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.611307 (E_RNA)
where:
Base-Base interactions energy: -37.470
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.094
local terms energy: -46.047297
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -5.411
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: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -225.973094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.973094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.973094 (E_RNA)
where:
Base-Base interactions energy: -146.623
where: short stacking energy: -75.171
Base-Backbone interact. energy: -0.003
local terms energy: -79.347774
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -220.458179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.458179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.458179 (E_RNA)
where:
Base-Base interactions energy: -145.864
where: short stacking energy: -68.808
Base-Backbone interact. energy: -0.102
local terms energy: -74.492005
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -214.231817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.231817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.231817 (E_RNA)
where:
Base-Base interactions energy: -143.101
where: short stacking energy: -58.278
Base-Backbone interact. energy: -0.081
local terms energy: -71.050214
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -204.805284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.805284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.805284 (E_RNA)
where:
Base-Base interactions energy: -144.457
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.236
local terms energy: -60.112647
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -203.729646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.729646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.729646 (E_RNA)
where:
Base-Base interactions energy: -146.038
where: short stacking energy: -54.978
Base-Backbone interact. energy: 0.076
local terms energy: -57.768403
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -7.015
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: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -169.644456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.644456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.644456 (E_RNA)
where:
Base-Base interactions energy: -107.153
where: short stacking energy: -48.088
Base-Backbone interact. energy: -0.934
local terms energy: -61.557730
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -8.039
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: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -158.575076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.575076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.575076 (E_RNA)
where:
Base-Base interactions energy: -94.874
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.091
local terms energy: -63.609511
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -87.154483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.154483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.154483 (E_RNA)
where:
Base-Base interactions energy: -38.759
where: short stacking energy: -29.931
Base-Backbone interact. energy: -1.331
local terms energy: -47.064818
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -96.289357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.289357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.289357 (E_RNA)
where:
Base-Base interactions energy: -35.127
where: short stacking energy: -30.139
Base-Backbone interact. energy: -0.016
local terms energy: -61.146469
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -77.738794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.738794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.738794 (E_RNA)
where:
Base-Base interactions energy: -31.925
where: short stacking energy: -27.193
Base-Backbone interact. energy: -0.031
local terms energy: -45.782702
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -5.112
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: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -203.705893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.705893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.705893 (E_RNA)
where:
Base-Base interactions energy: -128.370
where: short stacking energy: -54.198
Base-Backbone interact. energy: -0.054
local terms energy: -75.281564
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -221.410604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.410604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.410604 (E_RNA)
where:
Base-Base interactions energy: -150.024
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.524
local terms energy: -70.862909
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -206.613059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.613059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.613059 (E_RNA)
where:
Base-Base interactions energy: -141.545
where: short stacking energy: -69.629
Base-Backbone interact. energy: -0.010
local terms energy: -65.058110
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -215.259833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.259833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.259833 (E_RNA)
where:
Base-Base interactions energy: -136.330
where: short stacking energy: -64.289
Base-Backbone interact. energy: -1.799
local terms energy: -77.130524
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -192.763778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.763778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.763778 (E_RNA)
where:
Base-Base interactions energy: -124.667
where: short stacking energy: -55.386
Base-Backbone interact. energy: -0.116
local terms energy: -67.980855
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -191.242411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.242411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.242411 (E_RNA)
where:
Base-Base interactions energy: -136.471
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.014
local terms energy: -54.757770
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -138.043014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.043014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.043014 (E_RNA)
where:
Base-Base interactions energy: -90.426
where: short stacking energy: -44.074
Base-Backbone interact. energy: -0.515
local terms energy: -47.101586
where:
bonds (distance) C4'-P energy: -3.248
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -80.749644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.749644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.749644 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -28.007
Base-Backbone interact. energy: -1.343
local terms energy: -49.034015
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -7.716
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: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -90.539001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.539001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.539001 (E_RNA)
where:
Base-Base interactions energy: -31.362
where: short stacking energy: -31.362
Base-Backbone interact. energy: -0.646
local terms energy: -58.530096
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -71.545339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.545339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.545339 (E_RNA)
where:
Base-Base interactions energy: -25.966
where: short stacking energy: -25.966
Base-Backbone interact. energy: -0.076
local terms energy: -45.503199
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: 0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -210.597638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.597638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.597638 (E_RNA)
where:
Base-Base interactions energy: -136.650
where: short stacking energy: -54.215
Base-Backbone interact. energy: -0.356
local terms energy: -73.591006
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -12.146
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: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -219.882690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.882690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.882690 (E_RNA)
where:
Base-Base interactions energy: -142.991
where: short stacking energy: -69.164
Base-Backbone interact. energy: -1.309
local terms energy: -75.583373
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -21.541
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: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -213.304791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.304791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.304791 (E_RNA)
where:
Base-Base interactions energy: -131.832
where: short stacking energy: -65.279
Base-Backbone interact. energy: -0.008
local terms energy: -81.464116
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -212.650601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.650601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.650601 (E_RNA)
where:
Base-Base interactions energy: -139.886
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.001
local terms energy: -72.763599
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -195.506924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.506924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.506924 (E_RNA)
where:
Base-Base interactions energy: -131.542
where: short stacking energy: -55.400
Base-Backbone interact. energy: -0.122
local terms energy: -63.842986
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -17.823
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: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -195.213836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.213836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.213836 (E_RNA)
where:
Base-Base interactions energy: -131.384
where: short stacking energy: -49.271
Base-Backbone interact. energy: -0.590
local terms energy: -63.239926
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -163.205359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.205359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.205359 (E_RNA)
where:
Base-Base interactions energy: -103.666
where: short stacking energy: -37.787
Base-Backbone interact. energy: -1.244
local terms energy: -58.295416
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -82.435818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.435818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.435818 (E_RNA)
where:
Base-Base interactions energy: -35.531
where: short stacking energy: -34.321
Base-Backbone interact. energy: -0.208
local terms energy: -46.696570
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -1.216
tors. eta vs tors. theta energy: -7.502
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: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -96.155680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.155680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.155680 (E_RNA)
where:
Base-Base interactions energy: -38.467
where: short stacking energy: -38.467
Base-Backbone interact. energy: 2.220
local terms energy: -59.908921
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -83.594803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.594803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.594803 (E_RNA)
where:
Base-Base interactions energy: -35.198
where: short stacking energy: -34.960
Base-Backbone interact. energy: -0.075
local terms energy: -48.321705
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -6.802
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -9.706
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: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -213.784219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.784219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.784219 (E_RNA)
where:
Base-Base interactions energy: -147.121
where: short stacking energy: -56.926
Base-Backbone interact. energy: -0.075
local terms energy: -66.587787
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -208.669677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.669677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.669677 (E_RNA)
where:
Base-Base interactions energy: -130.331
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.220
local terms energy: -78.118697
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -21.984
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: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -218.031840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.031840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.031840 (E_RNA)
where:
Base-Base interactions energy: -141.576
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.017
local terms energy: -76.438708
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -20.039
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: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -211.031751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.031751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.031751 (E_RNA)
where:
Base-Base interactions energy: -142.566
where: short stacking energy: -61.178
Base-Backbone interact. energy: -0.011
local terms energy: -68.454532
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -201.590631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.590631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.590631 (E_RNA)
where:
Base-Base interactions energy: -134.933
where: short stacking energy: -49.594
Base-Backbone interact. energy: -0.119
local terms energy: -66.538540
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -187.721367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.721367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.721367 (E_RNA)
where:
Base-Base interactions energy: -128.158
where: short stacking energy: -53.765
Base-Backbone interact. energy: -0.363
local terms energy: -59.200340
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -129.242960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.242960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.242960 (E_RNA)
where:
Base-Base interactions energy: -83.529
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.517
local terms energy: -45.197272
where:
bonds (distance) C4'-P energy: -6.353
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -7.825
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -92.063015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.063015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.063015 (E_RNA)
where:
Base-Base interactions energy: -37.388
where: short stacking energy: -33.399
Base-Backbone interact. energy: -0.306
local terms energy: -54.368959
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -7.268
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -81.382689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.382689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.382689 (E_RNA)
where:
Base-Base interactions energy: -28.076
where: short stacking energy: -28.076
Base-Backbone interact. energy: -0.000
local terms energy: -53.306744
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -75.600181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.600181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.600181 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -30.589
Base-Backbone interact. energy: 0.656
local terms energy: -45.666575
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -218.731015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.731015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.731015 (E_RNA)
where:
Base-Base interactions energy: -145.304
where: short stacking energy: -60.767
Base-Backbone interact. energy: -0.034
local terms energy: -73.393151
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -9.157
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: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -221.199628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.199628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.199628 (E_RNA)
where:
Base-Base interactions energy: -147.728
where: short stacking energy: -59.557
Base-Backbone interact. energy: -0.121
local terms energy: -73.350980
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -18.226
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: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -202.370569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.370569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.370569 (E_RNA)
where:
Base-Base interactions energy: -132.319
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.600
local terms energy: -69.451422
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -213.070350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.070350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.070350 (E_RNA)
where:
Base-Base interactions energy: -140.649
where: short stacking energy: -69.333
Base-Backbone interact. energy: -0.086
local terms energy: -72.335525
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.925
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: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -210.303358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.303358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.303358 (E_RNA)
where:
Base-Base interactions energy: -134.628
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.002
local terms energy: -75.672593
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -12.646
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: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -184.586217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.586217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.586217 (E_RNA)
where:
Base-Base interactions energy: -118.093
where: short stacking energy: -57.942
Base-Backbone interact. energy: -0.002
local terms energy: -66.492003
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -142.321790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.321790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.321790 (E_RNA)
where:
Base-Base interactions energy: -76.472
where: short stacking energy: -42.324
Base-Backbone interact. energy: -0.887
local terms energy: -64.962544
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -82.594574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.594574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.594574 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -25.501
Base-Backbone interact. energy: -0.181
local terms energy: -52.315964
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -78.746922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.746922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.746922 (E_RNA)
where:
Base-Base interactions energy: -34.779
where: short stacking energy: -26.860
Base-Backbone interact. energy: -0.229
local terms energy: -43.738914
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -5.364
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -87.047672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.047672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.047672 (E_RNA)
where:
Base-Base interactions energy: -39.842
where: short stacking energy: -32.386
Base-Backbone interact. energy: -0.212
local terms energy: -46.993651
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -223.011322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.011322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.011322 (E_RNA)
where:
Base-Base interactions energy: -142.529
where: short stacking energy: -71.193
Base-Backbone interact. energy: -0.101
local terms energy: -80.381594
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -219.949712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.949712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.949712 (E_RNA)
where:
Base-Base interactions energy: -145.723
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.062
local terms energy: -74.164665
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -9.033
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: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -220.222774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.222774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.222774 (E_RNA)
where:
Base-Base interactions energy: -150.596
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.797
local terms energy: -68.829260
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -12.657
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: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -185.828102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.828102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.828102 (E_RNA)
where:
Base-Base interactions energy: -120.033
where: short stacking energy: -50.909
Base-Backbone interact. energy: -0.442
local terms energy: -65.352967
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -205.292140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.292140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.292140 (E_RNA)
where:
Base-Base interactions energy: -129.907
where: short stacking energy: -59.648
Base-Backbone interact. energy: -0.041
local terms energy: -75.343874
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -200.561379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.561379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.561379 (E_RNA)
where:
Base-Base interactions energy: -138.183
where: short stacking energy: -61.699
Base-Backbone interact. energy: 5.346
local terms energy: -67.723702
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -139.270971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.270971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.270971 (E_RNA)
where:
Base-Base interactions energy: -85.219
where: short stacking energy: -41.997
Base-Backbone interact. energy: -0.616
local terms energy: -53.435871
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -11.309
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: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -93.966986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.966986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.966986 (E_RNA)
where:
Base-Base interactions energy: -42.533
where: short stacking energy: -36.624
Base-Backbone interact. energy: -0.166
local terms energy: -51.267183
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -87.570946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.570946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.570946 (E_RNA)
where:
Base-Base interactions energy: -33.496
where: short stacking energy: -25.718
Base-Backbone interact. energy: -0.398
local terms energy: -53.677576
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -11.897
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: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -82.389494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.389494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.389494 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -21.936
Base-Backbone interact. energy: -0.042
local terms energy: -45.694201
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -221.277012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.277012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.277012 (E_RNA)
where:
Base-Base interactions energy: -144.157
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.482
local terms energy: -76.637763
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -220.694469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.694469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.694469 (E_RNA)
where:
Base-Base interactions energy: -148.410
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.025
local terms energy: -72.259767
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -19.251
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: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -207.574689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.574689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.574689 (E_RNA)
where:
Base-Base interactions energy: -137.810
where: short stacking energy: -59.341
Base-Backbone interact. energy: 1.740
local terms energy: -71.504219
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -213.098494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.098494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.098494 (E_RNA)
where:
Base-Base interactions energy: -145.056
where: short stacking energy: -71.192
Base-Backbone interact. energy: -0.046
local terms energy: -67.996542
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -8.021
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: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -184.615028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.615028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.615028 (E_RNA)
where:
Base-Base interactions energy: -122.880
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.056
local terms energy: -61.679199
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -178.856200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.856200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.856200 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -54.486
Base-Backbone interact. energy: -0.109
local terms energy: -67.758616
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -146.440384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.440384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.440384 (E_RNA)
where:
Base-Base interactions energy: -92.287
where: short stacking energy: -58.462
Base-Backbone interact. energy: -0.091
local terms energy: -54.061654
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -92.197562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.197562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.197562 (E_RNA)
where:
Base-Base interactions energy: -35.394
where: short stacking energy: -35.394
Base-Backbone interact. energy: -0.257
local terms energy: -56.547109
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -102.578904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.578904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.578904 (E_RNA)
where:
Base-Base interactions energy: -44.628
where: short stacking energy: -40.864
Base-Backbone interact. energy: -0.854
local terms energy: -57.096824
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -12.399
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: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -77.692276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.692276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.692276 (E_RNA)
where:
Base-Base interactions energy: -28.488
where: short stacking energy: -28.488
Base-Backbone interact. energy: 3.624
local terms energy: -52.828763
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -219.744157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.744157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.744157 (E_RNA)
where:
Base-Base interactions energy: -141.166
where: short stacking energy: -61.547
Base-Backbone interact. energy: -1.812
local terms energy: -76.766145
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.954
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: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -214.381297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.381297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.381297 (E_RNA)
where:
Base-Base interactions energy: -144.105
where: short stacking energy: -68.137
Base-Backbone interact. energy: -0.281
local terms energy: -69.995177
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -221.702153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.702153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.702153 (E_RNA)
where:
Base-Base interactions energy: -147.349
where: short stacking energy: -79.428
Base-Backbone interact. energy: -0.000
local terms energy: -74.352511
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -20.559
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: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -215.666262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.666262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.666262 (E_RNA)
where:
Base-Base interactions energy: -142.240
where: short stacking energy: -72.746
Base-Backbone interact. energy: -0.104
local terms energy: -73.322408
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -11.575
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: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -189.131297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.131297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.131297 (E_RNA)
where:
Base-Base interactions energy: -121.419
where: short stacking energy: -50.546
Base-Backbone interact. energy: -0.085
local terms energy: -67.627827
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -187.494487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.494487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.494487 (E_RNA)
where:
Base-Base interactions energy: -126.285
where: short stacking energy: -54.585
Base-Backbone interact. energy: -0.092
local terms energy: -61.118196
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -93.745384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.745384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.745384 (E_RNA)
where:
Base-Base interactions energy: -54.204
where: short stacking energy: -24.727
Base-Backbone interact. energy: -0.211
local terms energy: -39.329938
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -152.232938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.232938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.232938 (E_RNA)
where:
Base-Base interactions energy: -106.405
where: short stacking energy: -50.621
Base-Backbone interact. energy: 0.033
local terms energy: -45.861176
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -85.982370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.982370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.982370 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -31.132
Base-Backbone interact. energy: 0.248
local terms energy: -55.098330
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -85.194852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.194852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.194852 (E_RNA)
where:
Base-Base interactions energy: -43.280
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.130
local terms energy: -41.784833
where:
bonds (distance) C4'-P energy: -6.067
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -213.388712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.388712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388712 (E_RNA)
where:
Base-Base interactions energy: -139.183
where: short stacking energy: -53.064
Base-Backbone interact. energy: -1.218
local terms energy: -72.987743
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -225.409202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.409202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.409202 (E_RNA)
where:
Base-Base interactions energy: -149.730
where: short stacking energy: -79.182
Base-Backbone interact. energy: -0.004
local terms energy: -75.675843
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -13.038
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: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -217.920175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.920175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.920175 (E_RNA)
where:
Base-Base interactions energy: -140.386
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.289
local terms energy: -77.245377
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -20.632
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: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -203.593244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.593244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.593244 (E_RNA)
where:
Base-Base interactions energy: -129.402
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.023
local terms energy: -74.168757
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -11.481
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: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -194.611690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.611690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.611690 (E_RNA)
where:
Base-Base interactions energy: -121.899
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.506
local terms energy: -72.206143
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -189.437090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.437090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.437090 (E_RNA)
where:
Base-Base interactions energy: -120.618
where: short stacking energy: -56.735
Base-Backbone interact. energy: -0.233
local terms energy: -68.586504
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -79.724768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.724768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.724768 (E_RNA)
where:
Base-Base interactions energy: -29.055
where: short stacking energy: -29.055
Base-Backbone interact. energy: -0.109
local terms energy: -50.559907
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -7.750
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: 201
Temperature: 1.250000
Total energy: -139.488007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.488007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.488007 (E_RNA)
where:
Base-Base interactions energy: -77.780
where: short stacking energy: -45.496
Base-Backbone interact. energy: -0.065
local terms energy: -61.642677
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -86.969029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.969029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.969029 (E_RNA)
where:
Base-Base interactions energy: -29.872
where: short stacking energy: -29.872
Base-Backbone interact. energy: -0.048
local terms energy: -57.048847
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -79.500671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.500671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.500671 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -29.222
Base-Backbone interact. energy: 1.535
local terms energy: -47.135405
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -232.054657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.054657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.054657 (E_RNA)
where:
Base-Base interactions energy: -149.366
where: short stacking energy: -77.926
Base-Backbone interact. energy: -0.005
local terms energy: -82.684054
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -206.813211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.813211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.813211 (E_RNA)
where:
Base-Base interactions energy: -133.740
where: short stacking energy: -66.405
Base-Backbone interact. energy: -0.073
local terms energy: -72.999993
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -213.627007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.627007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.627007 (E_RNA)
where:
Base-Base interactions energy: -150.828
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.599
local terms energy: -62.199738
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -6.514
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: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -181.610030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.610030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.610030 (E_RNA)
where:
Base-Base interactions energy: -121.438
where: short stacking energy: -44.649
Base-Backbone interact. energy: -0.265
local terms energy: -59.907157
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -15.633
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: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -192.987919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.987919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.987919 (E_RNA)
where:
Base-Base interactions energy: -118.170
where: short stacking energy: -55.735
Base-Backbone interact. energy: -2.140
local terms energy: -72.678300
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -11.470
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: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -187.094957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.094957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.094957 (E_RNA)
where:
Base-Base interactions energy: -122.575
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.014
local terms energy: -64.505808
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.126
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: 202
Temperature: 1.200000
Total energy: -103.723934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.723934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.723934 (E_RNA)
where:
Base-Base interactions energy: -59.284
where: short stacking energy: -26.374
Base-Backbone interact. energy: -0.025
local terms energy: -44.414629
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -91.606784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606784 (E_RNA)
where:
Base-Base interactions energy: -45.381
where: short stacking energy: -31.811
Base-Backbone interact. energy: 0.824
local terms energy: -47.049531
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -85.012821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.012821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.012821 (E_RNA)
where:
Base-Base interactions energy: -33.544
where: short stacking energy: -33.036
Base-Backbone interact. energy: -0.024
local terms energy: -51.444279
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -10.817
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: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -80.008499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.008499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.008499 (E_RNA)
where:
Base-Base interactions energy: -33.473
where: short stacking energy: -18.823
Base-Backbone interact. energy: -0.339
local terms energy: -46.195953
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -227.543546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.543546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.543546 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -69.916
Base-Backbone interact. energy: -2.005
local terms energy: -80.404237
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -218.239139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.239139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.239139 (E_RNA)
where:
Base-Base interactions energy: -140.733
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.007
local terms energy: -77.499008
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -208.115421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.115421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.115421 (E_RNA)
where:
Base-Base interactions energy: -136.573
where: short stacking energy: -56.022
Base-Backbone interact. energy: -0.455
local terms energy: -71.087603
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -198.372300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.372300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.372300 (E_RNA)
where:
Base-Base interactions energy: -134.156
where: short stacking energy: -55.781
Base-Backbone interact. energy: -0.254
local terms energy: -63.962827
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -191.688452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.688452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.688452 (E_RNA)
where:
Base-Base interactions energy: -126.727
where: short stacking energy: -58.007
Base-Backbone interact. energy: -0.400
local terms energy: -64.561942
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -139.470301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.470301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.470301 (E_RNA)
where:
Base-Base interactions energy: -78.578
where: short stacking energy: -47.980
Base-Backbone interact. energy: -0.099
local terms energy: -60.792732
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -97.144947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.144947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.144947 (E_RNA)
where:
Base-Base interactions energy: -42.720
where: short stacking energy: -34.130
Base-Backbone interact. energy: -0.069
local terms energy: -54.355241
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -8.146
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: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -98.599199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.599199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.599199 (E_RNA)
where:
Base-Base interactions energy: -45.540
where: short stacking energy: -24.886
Base-Backbone interact. energy: 1.081
local terms energy: -54.140021
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -88.861851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.861851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.861851 (E_RNA)
where:
Base-Base interactions energy: -33.578
where: short stacking energy: -27.628
Base-Backbone interact. energy: -0.216
local terms energy: -55.068308
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -92.087728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.087728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.087728 (E_RNA)
where:
Base-Base interactions energy: -41.471
where: short stacking energy: -26.162
Base-Backbone interact. energy: 0.289
local terms energy: -50.905880
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -9.507
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: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -224.444148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.444148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.444148 (E_RNA)
where:
Base-Base interactions energy: -142.188
where: short stacking energy: -61.903
Base-Backbone interact. energy: -2.190
local terms energy: -80.066587
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -20.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -221.663578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.663578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.663578 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -64.165
Base-Backbone interact. energy: -0.064
local terms energy: -79.068452
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -215.796397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.796397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.796397 (E_RNA)
where:
Base-Base interactions energy: -146.284
where: short stacking energy: -54.135
Base-Backbone interact. energy: -2.066
local terms energy: -67.445871
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -8.517
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: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -186.480212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.480212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.480212 (E_RNA)
where:
Base-Base interactions energy: -115.530
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.115
local terms energy: -70.835399
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -197.940142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.940142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.940142 (E_RNA)
where:
Base-Base interactions energy: -131.246
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.020
local terms energy: -66.674393
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -16.708
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: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -94.168262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.168262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.168262 (E_RNA)
where:
Base-Base interactions energy: -37.413
where: short stacking energy: -24.224
Base-Backbone interact. energy: -0.304
local terms energy: -56.451221
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -114.386215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.386215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.386215 (E_RNA)
where:
Base-Base interactions energy: -59.721
where: short stacking energy: -39.769
Base-Backbone interact. energy: 0.133
local terms energy: -54.799011
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -89.629812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629812 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.143
local terms energy: -55.404410
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -5.361
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: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -77.370883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.370883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.370883 (E_RNA)
where:
Base-Base interactions energy: -30.077
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.207
local terms energy: -47.087320
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -87.329885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.329885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.329885 (E_RNA)
where:
Base-Base interactions energy: -42.342
where: short stacking energy: -28.224
Base-Backbone interact. energy: 0.517
local terms energy: -45.504912
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -10.740
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: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -219.671698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.671698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.671698 (E_RNA)
where:
Base-Base interactions energy: -145.754
where: short stacking energy: -69.487
Base-Backbone interact. energy: -0.528
local terms energy: -73.390053
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -215.939748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.939748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.939748 (E_RNA)
where:
Base-Base interactions energy: -141.228
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.725
local terms energy: -73.986765
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -214.637843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.637843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.637843 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.872
local terms energy: -69.981629
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -210.920151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.920151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.920151 (E_RNA)
where:
Base-Base interactions energy: -142.600
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.208
local terms energy: -68.112074
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -191.108801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.108801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.108801 (E_RNA)
where:
Base-Base interactions energy: -120.455
where: short stacking energy: -53.040
Base-Backbone interact. energy: -1.145
local terms energy: -69.508275
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -95.445962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.445962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.445962 (E_RNA)
where:
Base-Base interactions energy: -31.976
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.229
local terms energy: -63.240368
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -11.343
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: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -87.602543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.602543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.602543 (E_RNA)
where:
Base-Base interactions energy: -31.711
where: short stacking energy: -22.753
Base-Backbone interact. energy: -0.533
local terms energy: -55.358749
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: 0.382
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: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -84.615777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.615777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.615777 (E_RNA)
where:
Base-Base interactions energy: -25.452
where: short stacking energy: -22.934
Base-Backbone interact. energy: 0.810
local terms energy: -59.974195
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -79.616434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.616434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.616434 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -31.948
Base-Backbone interact. energy: -0.142
local terms energy: -46.429675
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -74.757597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.757597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.757597 (E_RNA)
where:
Base-Base interactions energy: -29.897
where: short stacking energy: -29.897
Base-Backbone interact. energy: -0.512
local terms energy: -44.348455
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -1.430
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: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -222.304810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.304810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.304810 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -68.342
Base-Backbone interact. energy: -0.626
local terms energy: -76.449670
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -220.568456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.568456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.568456 (E_RNA)
where:
Base-Base interactions energy: -146.281
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.100
local terms energy: -74.187616
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -17.373
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: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -218.226357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.226357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.226357 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.038
local terms energy: -81.706311
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -212.966276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.966276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.966276 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.835
local terms energy: -68.995908
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -203.690025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.690025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.690025 (E_RNA)
where:
Base-Base interactions energy: -129.974
where: short stacking energy: -62.567
Base-Backbone interact. energy: -1.163
local terms energy: -72.552989
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -110.402093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.402093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.402093 (E_RNA)
where:
Base-Base interactions energy: -46.888
where: short stacking energy: -38.845
Base-Backbone interact. energy: -0.080
local terms energy: -63.434677
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -90.166764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.166764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.166764 (E_RNA)
where:
Base-Base interactions energy: -39.935
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.248
local terms energy: -49.984399
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -90.015899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.015899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.015899 (E_RNA)
where:
Base-Base interactions energy: -37.715
where: short stacking energy: -29.522
Base-Backbone interact. energy: -0.162
local terms energy: -52.138452
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -78.428814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.428814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.428814 (E_RNA)
where:
Base-Base interactions energy: -34.610
where: short stacking energy: -34.610
Base-Backbone interact. energy: -0.116
local terms energy: -43.702175
where:
bonds (distance) C4'-P energy: -7.114
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -74.061662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.061662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.061662 (E_RNA)
where:
Base-Base interactions energy: -28.043
where: short stacking energy: -22.545
Base-Backbone interact. energy: 1.539
local terms energy: -47.556986
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -223.700193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.700193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.700193 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -63.974
Base-Backbone interact. energy: -1.100
local terms energy: -79.009402
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -220.935688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.935688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.935688 (E_RNA)
where:
Base-Base interactions energy: -152.925
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.031
local terms energy: -67.979515
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -211.122194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.122194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.122194 (E_RNA)
where:
Base-Base interactions energy: -141.845
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.294
local terms energy: -68.983633
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -16.225
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: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -207.724483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.724483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.724483 (E_RNA)
where:
Base-Base interactions energy: -142.265
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.087
local terms energy: -65.371607
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -193.111250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.111250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.111250 (E_RNA)
where:
Base-Base interactions energy: -122.974
where: short stacking energy: -47.216
Base-Backbone interact. energy: -0.369
local terms energy: -69.767685
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -99.969339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.969339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.969339 (E_RNA)
where:
Base-Base interactions energy: -51.111
where: short stacking energy: -39.868
Base-Backbone interact. energy: -0.356
local terms energy: -48.502722
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -1.753
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -95.131961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.131961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.131961 (E_RNA)
where:
Base-Base interactions energy: -39.770
where: short stacking energy: -34.641
Base-Backbone interact. energy: -0.229
local terms energy: -55.132842
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -84.110976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.110976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.110976 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -30.802
Base-Backbone interact. energy: 0.500
local terms energy: -50.381615
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -85.222189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.222189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.222189 (E_RNA)
where:
Base-Base interactions energy: -41.376
where: short stacking energy: -28.953
Base-Backbone interact. energy: -0.392
local terms energy: -43.454384
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -72.208111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.208111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.208111 (E_RNA)
where:
Base-Base interactions energy: -29.885
where: short stacking energy: -29.885
Base-Backbone interact. energy: -0.086
local terms energy: -42.237417
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: 4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -231.022201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.022201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.022201 (E_RNA)
where:
Base-Base interactions energy: -151.881
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.279
local terms energy: -78.862589
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -11.506
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: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -222.572617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.572617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.572617 (E_RNA)
where:
Base-Base interactions energy: -144.970
where: short stacking energy: -68.255
Base-Backbone interact. energy: -0.002
local terms energy: -77.600679
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -20.972
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: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -209.628791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.628791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.628791 (E_RNA)
where:
Base-Base interactions energy: -135.632
where: short stacking energy: -63.134
Base-Backbone interact. energy: -0.196
local terms energy: -73.800396
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -206.288001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.288001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.288001 (E_RNA)
where:
Base-Base interactions energy: -138.533
where: short stacking energy: -55.786
Base-Backbone interact. energy: -0.223
local terms energy: -67.532103
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -196.236063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.236063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.236063 (E_RNA)
where:
Base-Base interactions energy: -125.076
where: short stacking energy: -53.126
Base-Backbone interact. energy: -0.078
local terms energy: -71.082522
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -123.742665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.742665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.742665 (E_RNA)
where:
Base-Base interactions energy: -70.051
where: short stacking energy: -44.307
Base-Backbone interact. energy: -0.070
local terms energy: -53.621683
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -93.016338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.016338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.016338 (E_RNA)
where:
Base-Base interactions energy: -47.550
where: short stacking energy: -24.304
Base-Backbone interact. energy: -0.119
local terms energy: -45.347826
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -5.596
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -85.838842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.838842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.838842 (E_RNA)
where:
Base-Base interactions energy: -37.279
where: short stacking energy: -20.523
Base-Backbone interact. energy: -0.337
local terms energy: -48.222707
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -95.601462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.601462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.601462 (E_RNA)
where:
Base-Base interactions energy: -42.003
where: short stacking energy: -39.727
Base-Backbone interact. energy: -0.321
local terms energy: -53.277254
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -76.526804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.526804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.526804 (E_RNA)
where:
Base-Base interactions energy: -26.114
where: short stacking energy: -23.804
Base-Backbone interact. energy: -0.092
local terms energy: -50.320280
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -6.189
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -225.127817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.127817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.127817 (E_RNA)
where:
Base-Base interactions energy: -145.519
where: short stacking energy: -72.731
Base-Backbone interact. energy: -0.162
local terms energy: -79.446873
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -224.740964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.740964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.740964 (E_RNA)
where:
Base-Base interactions energy: -144.216
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.604
local terms energy: -79.920589
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -219.211115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.211115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.211115 (E_RNA)
where:
Base-Base interactions energy: -132.469
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.871
local terms energy: -85.870598
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -204.716432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.716432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.716432 (E_RNA)
where:
Base-Base interactions energy: -133.240
where: short stacking energy: -58.824
Base-Backbone interact. energy: -0.681
local terms energy: -70.795197
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -16.658
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: 209
Temperature: 1.100000
Total energy: -200.987369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.987369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.987369 (E_RNA)
where:
Base-Base interactions energy: -134.057
where: short stacking energy: -61.592
Base-Backbone interact. energy: -0.008
local terms energy: -66.922453
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -144.194790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.194790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.194790 (E_RNA)
where:
Base-Base interactions energy: -83.690
where: short stacking energy: -47.657
Base-Backbone interact. energy: -0.089
local terms energy: -60.415788
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -85.641640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641640 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -25.309
Base-Backbone interact. energy: -0.019
local terms energy: -48.601749
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -92.385394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.385394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.385394 (E_RNA)
where:
Base-Base interactions energy: -41.096
where: short stacking energy: -30.054
Base-Backbone interact. energy: -0.309
local terms energy: -50.980793
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -90.522574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.522574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.522574 (E_RNA)
where:
Base-Base interactions energy: -45.420
where: short stacking energy: -29.745
Base-Backbone interact. energy: -0.171
local terms energy: -44.930986
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -88.105220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.105220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.105220 (E_RNA)
where:
Base-Base interactions energy: -44.432
where: short stacking energy: -30.922
Base-Backbone interact. energy: 0.537
local terms energy: -44.210108
where:
bonds (distance) C4'-P energy: -4.721
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -227.977698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.977698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.977698 (E_RNA)
where:
Base-Base interactions energy: -144.551
where: short stacking energy: -68.119
Base-Backbone interact. energy: -1.105
local terms energy: -82.322120
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -11.465
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: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -223.186904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.186904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.186904 (E_RNA)
where:
Base-Base interactions energy: -146.931
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.098
local terms energy: -76.157713
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -213.631002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.631002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.631002 (E_RNA)
where:
Base-Base interactions energy: -147.376
where: short stacking energy: -66.332
Base-Backbone interact. energy: -0.063
local terms energy: -66.192485
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -212.943301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.943301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.943301 (E_RNA)
where:
Base-Base interactions energy: -145.959
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.072
local terms energy: -66.912514
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -17.861
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: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -207.663576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.663576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.663576 (E_RNA)
where:
Base-Base interactions energy: -136.814
where: short stacking energy: -51.346
Base-Backbone interact. energy: -1.060
local terms energy: -69.790107
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -13.901
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: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -151.996466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.996466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.996466 (E_RNA)
where:
Base-Base interactions energy: -93.292
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.932
local terms energy: -57.772138
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -101.323413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.323413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.323413 (E_RNA)
where:
Base-Base interactions energy: -48.086
where: short stacking energy: -26.446
Base-Backbone interact. energy: -0.890
local terms energy: -52.347397
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -94.620924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.620924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.620924 (E_RNA)
where:
Base-Base interactions energy: -40.037
where: short stacking energy: -38.195
Base-Backbone interact. energy: -0.417
local terms energy: -54.167329
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -82.483951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.483951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.483951 (E_RNA)
where:
Base-Base interactions energy: -37.517
where: short stacking energy: -27.995
Base-Backbone interact. energy: -0.272
local terms energy: -44.694814
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.396
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: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -77.584640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.584640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.584640 (E_RNA)
where:
Base-Base interactions energy: -27.767
where: short stacking energy: -23.933
Base-Backbone interact. energy: -0.372
local terms energy: -49.445729
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -2.991
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: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -216.242532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.242532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.242532 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -59.422
Base-Backbone interact. energy: 0.976
local terms energy: -75.978953
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -223.147135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.147135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.147135 (E_RNA)
where:
Base-Base interactions energy: -153.083
where: short stacking energy: -71.782
Base-Backbone interact. energy: -0.023
local terms energy: -70.041133
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -219.487363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.487363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.487363 (E_RNA)
where:
Base-Base interactions energy: -144.315
where: short stacking energy: -71.548
Base-Backbone interact. energy: -0.103
local terms energy: -75.068780
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -219.575532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.575532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.575532 (E_RNA)
where:
Base-Base interactions energy: -142.404
where: short stacking energy: -70.622
Base-Backbone interact. energy: -0.000
local terms energy: -77.171205
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -200.820005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.820005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.820005 (E_RNA)
where:
Base-Base interactions energy: -139.531
where: short stacking energy: -53.531
Base-Backbone interact. energy: -0.794
local terms energy: -60.495284
where:
bonds (distance) C4'-P energy: -6.700
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -155.975263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.975263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.975263 (E_RNA)
where:
Base-Base interactions energy: -100.781
where: short stacking energy: -52.635
Base-Backbone interact. energy: 0.654
local terms energy: -55.849020
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -91.729456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.729456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.729456 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.166
local terms energy: -54.551096
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -89.575966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.575966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.575966 (E_RNA)
where:
Base-Base interactions energy: -43.204
where: short stacking energy: -32.990
Base-Backbone interact. energy: 0.080
local terms energy: -46.451746
where:
bonds (distance) C4'-P energy: -5.686
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -5.018
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: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -93.218827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.218827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.218827 (E_RNA)
where:
Base-Base interactions energy: -33.332
where: short stacking energy: -31.642
Base-Backbone interact. energy: -0.256
local terms energy: -59.630127
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -86.375701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.375701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.375701 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -29.880
Base-Backbone interact. energy: -0.224
local terms energy: -56.271164
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -227.873336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.873336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.873336 (E_RNA)
where:
Base-Base interactions energy: -147.431
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.075
local terms energy: -80.367692
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -10.301
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: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -226.073961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.073961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.073961 (E_RNA)
where:
Base-Base interactions energy: -148.967
where: short stacking energy: -76.523
Base-Backbone interact. energy: -0.016
local terms energy: -77.090867
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -218.488955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.488955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.488955 (E_RNA)
where:
Base-Base interactions energy: -137.312
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.631
local terms energy: -80.546810
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -209.976363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.976363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.976363 (E_RNA)
where:
Base-Base interactions energy: -138.446
where: short stacking energy: -59.797
Base-Backbone interact. energy: 0.696
local terms energy: -72.226342
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -202.151902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.151902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.151902 (E_RNA)
where:
Base-Base interactions energy: -129.854
where: short stacking energy: -58.085
Base-Backbone interact. energy: -0.170
local terms energy: -72.127817
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -134.778294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.778294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.778294 (E_RNA)
where:
Base-Base interactions energy: -75.219
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.856
local terms energy: -58.703483
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -8.790
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: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -92.603777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.603777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.603777 (E_RNA)
where:
Base-Base interactions energy: -41.133
where: short stacking energy: -33.849
Base-Backbone interact. energy: -0.278
local terms energy: -51.193028
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -3.104
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -92.074798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.074798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.074798 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -39.211
Base-Backbone interact. energy: -0.054
local terms energy: -52.717969
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -6.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -102.770581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.770581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.770581 (E_RNA)
where:
Base-Base interactions energy: -51.809
where: short stacking energy: -22.708
Base-Backbone interact. energy: -1.017
local terms energy: -49.944697
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -80.011577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.011577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.011577 (E_RNA)
where:
Base-Base interactions energy: -33.620
where: short stacking energy: -20.041
Base-Backbone interact. energy: 0.076
local terms energy: -46.467507
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -1.657
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: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -226.407477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.407477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.407477 (E_RNA)
where:
Base-Base interactions energy: -152.461
where: short stacking energy: -72.000
Base-Backbone interact. energy: -1.387
local terms energy: -72.559384
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -19.377
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: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -220.691242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.691242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.691242 (E_RNA)
where:
Base-Base interactions energy: -146.717
where: short stacking energy: -68.399
Base-Backbone interact. energy: -0.368
local terms energy: -73.605435
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.985
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: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -213.822641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.822641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.822641 (E_RNA)
where:
Base-Base interactions energy: -136.653
where: short stacking energy: -64.526
Base-Backbone interact. energy: 0.334
local terms energy: -77.503565
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -201.728816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.728816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.728816 (E_RNA)
where:
Base-Base interactions energy: -131.880
where: short stacking energy: -56.394
Base-Backbone interact. energy: -0.848
local terms energy: -69.000811
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -209.317348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.317348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.317348 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -54.573
Base-Backbone interact. energy: -1.082
local terms energy: -62.625430
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -14.557
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: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -116.283371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.283371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.283371 (E_RNA)
where:
Base-Base interactions energy: -49.766
where: short stacking energy: -42.869
Base-Backbone interact. energy: -0.106
local terms energy: -66.411008
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -93.845734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.845734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.845734 (E_RNA)
where:
Base-Base interactions energy: -32.972
where: short stacking energy: -30.901
Base-Backbone interact. energy: -0.078
local terms energy: -60.795349
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.969
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: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -144.591137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.591137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.591137 (E_RNA)
where:
Base-Base interactions energy: -89.019
where: short stacking energy: -39.683
Base-Backbone interact. energy: 0.506
local terms energy: -56.078037
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -94.173905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.173905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.173905 (E_RNA)
where:
Base-Base interactions energy: -41.458
where: short stacking energy: -33.338
Base-Backbone interact. energy: -0.127
local terms energy: -52.588360
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -80.493302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.493302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.493302 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.087
local terms energy: -43.169545
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -6.095
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -4.514
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: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -226.176518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.176518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.176518 (E_RNA)
where:
Base-Base interactions energy: -143.848
where: short stacking energy: -63.372
Base-Backbone interact. energy: -1.937
local terms energy: -80.392357
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -214.767128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.767128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.767128 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.531
local terms energy: -73.851011
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -209.159695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.159695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.159695 (E_RNA)
where:
Base-Base interactions energy: -135.231
where: short stacking energy: -63.379
Base-Backbone interact. energy: -0.004
local terms energy: -73.924356
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -200.765649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.765649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.765649 (E_RNA)
where:
Base-Base interactions energy: -138.799
where: short stacking energy: -60.043
Base-Backbone interact. energy: -0.351
local terms energy: -61.616079
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -212.038184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.038184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.038184 (E_RNA)
where:
Base-Base interactions energy: -142.618
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.045
local terms energy: -69.374440
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -10.005
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: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -96.842714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.842714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.842714 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -38.039
Base-Backbone interact. energy: -0.154
local terms energy: -58.649031
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -156.112259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.112259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.112259 (E_RNA)
where:
Base-Base interactions energy: -93.088
where: short stacking energy: -47.104
Base-Backbone interact. energy: -0.027
local terms energy: -62.996758
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -86.072455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.072455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.072455 (E_RNA)
where:
Base-Base interactions energy: -31.635
where: short stacking energy: -21.907
Base-Backbone interact. energy: -0.598
local terms energy: -53.839361
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -86.253500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.253500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.253500 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.097
local terms energy: -50.037078
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -90.674793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.674793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.674793 (E_RNA)
where:
Base-Base interactions energy: -42.913
where: short stacking energy: -29.379
Base-Backbone interact. energy: -1.231
local terms energy: -46.530954
where:
bonds (distance) C4'-P energy: -8.273
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -220.543171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.543171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.543171 (E_RNA)
where:
Base-Base interactions energy: -143.908
where: short stacking energy: -60.269
Base-Backbone interact. energy: -0.112
local terms energy: -76.523312
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -225.835949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.835949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.835949 (E_RNA)
where:
Base-Base interactions energy: -147.773
where: short stacking energy: -75.649
Base-Backbone interact. energy: -0.018
local terms energy: -78.045639
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -210.865385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.865385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.865385 (E_RNA)
where:
Base-Base interactions energy: -142.179
where: short stacking energy: -60.395
Base-Backbone interact. energy: -0.054
local terms energy: -68.632789
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -204.038581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.038581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.038581 (E_RNA)
where:
Base-Base interactions energy: -144.235
where: short stacking energy: -52.817
Base-Backbone interact. energy: -1.404
local terms energy: -58.399774
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -164.275523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.275523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.275523 (E_RNA)
where:
Base-Base interactions energy: -101.124
where: short stacking energy: -48.509
Base-Backbone interact. energy: -0.388
local terms energy: -62.763512
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.844
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: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -158.268685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.268685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.268685 (E_RNA)
where:
Base-Base interactions energy: -91.051
where: short stacking energy: -49.866
Base-Backbone interact. energy: -0.035
local terms energy: -67.182912
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -13.723
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: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -87.445445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.445445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.445445 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -32.943
Base-Backbone interact. energy: -0.176
local terms energy: -49.364373
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -90.231610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231610 (E_RNA)
where:
Base-Base interactions energy: -36.422
where: short stacking energy: -36.303
Base-Backbone interact. energy: -0.151
local terms energy: -53.658602
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -92.397605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.397605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.397605 (E_RNA)
where:
Base-Base interactions energy: -50.410
where: short stacking energy: -27.812
Base-Backbone interact. energy: 1.117
local terms energy: -43.104911
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: 0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -75.784149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.784149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.784149 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -29.403
Base-Backbone interact. energy: -0.223
local terms energy: -46.158311
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -225.950848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.950848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.950848 (E_RNA)
where:
Base-Base interactions energy: -144.727
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.002
local terms energy: -81.222373
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -215.228264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.228264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.228264 (E_RNA)
where:
Base-Base interactions energy: -136.470
where: short stacking energy: -65.313
Base-Backbone interact. energy: -0.821
local terms energy: -77.937702
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -210.951944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.951944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.951944 (E_RNA)
where:
Base-Base interactions energy: -143.250
where: short stacking energy: -57.832
Base-Backbone interact. energy: -0.176
local terms energy: -67.525499
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -204.694196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.694196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.694196 (E_RNA)
where:
Base-Base interactions energy: -138.343
where: short stacking energy: -52.455
Base-Backbone interact. energy: 2.725
local terms energy: -69.076795
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -151.361893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.361893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.361893 (E_RNA)
where:
Base-Base interactions energy: -96.106
where: short stacking energy: -36.413
Base-Backbone interact. energy: -0.205
local terms energy: -55.050960
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -155.423535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.423535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.423535 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -46.193
Base-Backbone interact. energy: -0.133
local terms energy: -54.153024
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -101.267741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.267741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.267741 (E_RNA)
where:
Base-Base interactions energy: -49.110
where: short stacking energy: -26.699
Base-Backbone interact. energy: -0.382
local terms energy: -51.775667
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -3.196
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: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -79.613217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.613217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.613217 (E_RNA)
where:
Base-Base interactions energy: -27.088
where: short stacking energy: -21.654
Base-Backbone interact. energy: -0.071
local terms energy: -52.453812
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -2.818
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: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -80.874892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.874892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.874892 (E_RNA)
where:
Base-Base interactions energy: -28.875
where: short stacking energy: -28.244
Base-Backbone interact. energy: -0.088
local terms energy: -51.911492
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -85.490074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.490074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.490074 (E_RNA)
where:
Base-Base interactions energy: -44.895
where: short stacking energy: -44.895
Base-Backbone interact. energy: -0.373
local terms energy: -40.221709
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: 3.789
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -224.431512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.431512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.431512 (E_RNA)
where:
Base-Base interactions energy: -145.023
where: short stacking energy: -76.713
Base-Backbone interact. energy: -0.076
local terms energy: -79.332859
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -11.180
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: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -223.558992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.558992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.558992 (E_RNA)
where:
Base-Base interactions energy: -144.830
where: short stacking energy: -70.071
Base-Backbone interact. energy: -0.813
local terms energy: -77.916289
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -215.361937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.361937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.361937 (E_RNA)
where:
Base-Base interactions energy: -136.197
where: short stacking energy: -64.240
Base-Backbone interact. energy: -1.443
local terms energy: -77.721933
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -204.341545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.341545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.341545 (E_RNA)
where:
Base-Base interactions energy: -130.755
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.072
local terms energy: -73.514216
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -160.084567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.084567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.084567 (E_RNA)
where:
Base-Base interactions energy: -93.970
where: short stacking energy: -49.704
Base-Backbone interact. energy: -0.963
local terms energy: -65.152188
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -122.145794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.145794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.145794 (E_RNA)
where:
Base-Base interactions energy: -68.426
where: short stacking energy: -41.529
Base-Backbone interact. energy: 0.231
local terms energy: -53.950831
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -94.870167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.870167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.870167 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -21.361
Base-Backbone interact. energy: -0.313
local terms energy: -49.675135
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: 2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -85.915183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.915183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.915183 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -31.430
Base-Backbone interact. energy: -0.120
local terms energy: -46.494460
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -6.668
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: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -74.179636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.179636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.179636 (E_RNA)
where:
Base-Base interactions energy: -27.447
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.066
local terms energy: -46.666279
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -9.221
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: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -80.687518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.687518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.687518 (E_RNA)
where:
Base-Base interactions energy: -44.472
where: short stacking energy: -22.164
Base-Backbone interact. energy: -0.695
local terms energy: -35.521185
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -227.723031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.723031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.723031 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -74.873
Base-Backbone interact. energy: -0.002
local terms energy: -79.194019
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -226.154236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.154236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.154236 (E_RNA)
where:
Base-Base interactions energy: -148.878
where: short stacking energy: -77.243
Base-Backbone interact. energy: -0.001
local terms energy: -77.275136
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -18.578
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: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -219.341828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341828 (E_RNA)
where:
Base-Base interactions energy: -139.411
where: short stacking energy: -70.425
Base-Backbone interact. energy: -0.003
local terms energy: -79.928248
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -204.016364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.016364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.016364 (E_RNA)
where:
Base-Base interactions energy: -139.085
where: short stacking energy: -59.147
Base-Backbone interact. energy: -0.963
local terms energy: -63.968394
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -12.605
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: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -181.542257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.542257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.542257 (E_RNA)
where:
Base-Base interactions energy: -119.534
where: short stacking energy: -41.832
Base-Backbone interact. energy: 1.282
local terms energy: -63.289948
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -9.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -108.038201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.038201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.038201 (E_RNA)
where:
Base-Base interactions energy: -50.554
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.086
local terms energy: -57.398831
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -10.707
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: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -87.966586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966586 (E_RNA)
where:
Base-Base interactions energy: -36.513
where: short stacking energy: -36.513
Base-Backbone interact. energy: 0.518
local terms energy: -51.972158
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -89.882548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.882548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.882548 (E_RNA)
where:
Base-Base interactions energy: -53.705
where: short stacking energy: -38.055
Base-Backbone interact. energy: -0.061
local terms energy: -36.117118
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -4.224
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: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -81.570912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.570912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.570912 (E_RNA)
where:
Base-Base interactions energy: -33.316
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.075
local terms energy: -48.180591
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -9.801
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.619
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: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -77.262577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.262577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.262577 (E_RNA)
where:
Base-Base interactions energy: -26.402
where: short stacking energy: -23.795
Base-Backbone interact. energy: 0.666
local terms energy: -51.526496
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -215.717311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.717311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.717311 (E_RNA)
where:
Base-Base interactions energy: -141.465
where: short stacking energy: -72.203
Base-Backbone interact. energy: -0.001
local terms energy: -74.251339
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -13.105
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: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -222.908157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.908157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.908157 (E_RNA)
where:
Base-Base interactions energy: -143.739
where: short stacking energy: -73.927
Base-Backbone interact. energy: -0.409
local terms energy: -78.759896
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -202.750075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.750075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.750075 (E_RNA)
where:
Base-Base interactions energy: -132.592
where: short stacking energy: -45.338
Base-Backbone interact. energy: -1.090
local terms energy: -69.067227
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -186.630062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.630062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.630062 (E_RNA)
where:
Base-Base interactions energy: -119.554
where: short stacking energy: -46.668
Base-Backbone interact. energy: -0.055
local terms energy: -67.020278
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -12.855
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: 219
Temperature: 1.100000
Total energy: -180.703674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.703674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.703674 (E_RNA)
where:
Base-Base interactions energy: -122.100
where: short stacking energy: -49.594
Base-Backbone interact. energy: -0.825
local terms energy: -57.778372
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -12.223
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: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -99.125419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.125419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.125419 (E_RNA)
where:
Base-Base interactions energy: -36.510
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.153
local terms energy: -62.463353
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -118.263099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.263099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.263099 (E_RNA)
where:
Base-Base interactions energy: -64.821
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.567
local terms energy: -52.875366
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -92.747963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.747963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.747963 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -32.718
Base-Backbone interact. energy: -0.010
local terms energy: -60.020401
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -10.677
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: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -98.510339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.510339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.510339 (E_RNA)
where:
Base-Base interactions energy: -52.753
where: short stacking energy: -19.805
Base-Backbone interact. energy: -0.119
local terms energy: -45.638223
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -81.214624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.214624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.214624 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -31.445
Base-Backbone interact. energy: -0.036
local terms energy: -45.326457
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -232.964865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.964865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.964865 (E_RNA)
where:
Base-Base interactions energy: -150.833
where: short stacking energy: -72.810
Base-Backbone interact. energy: -1.629
local terms energy: -80.503424
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -219.020871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.020871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.020871 (E_RNA)
where:
Base-Base interactions energy: -151.148
where: short stacking energy: -54.117
Base-Backbone interact. energy: -1.628
local terms energy: -66.244726
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -197.150721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.150721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.150721 (E_RNA)
where:
Base-Base interactions energy: -129.055
where: short stacking energy: -61.427
Base-Backbone interact. energy: -0.090
local terms energy: -68.006059
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -204.816235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.816235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.816235 (E_RNA)
where:
Base-Base interactions energy: -132.505
where: short stacking energy: -62.206
Base-Backbone interact. energy: -0.083
local terms energy: -72.228314
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -12.610
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: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -160.522748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.522748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.522748 (E_RNA)
where:
Base-Base interactions energy: -103.954
where: short stacking energy: -53.583
Base-Backbone interact. energy: -1.020
local terms energy: -55.548740
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -101.862320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.862320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.862320 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -32.247
Base-Backbone interact. energy: -0.120
local terms energy: -63.151297
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -98.531954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.531954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.531954 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -38.606
Base-Backbone interact. energy: -0.308
local terms energy: -58.611048
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -90.535028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.535028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.535028 (E_RNA)
where:
Base-Base interactions energy: -48.206
where: short stacking energy: -28.616
Base-Backbone interact. energy: -0.006
local terms energy: -42.322797
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -6.211
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: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -85.119639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.119639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.119639 (E_RNA)
where:
Base-Base interactions energy: -36.365
where: short stacking energy: -26.030
Base-Backbone interact. energy: -0.728
local terms energy: -48.026987
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -77.138112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.138112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.138112 (E_RNA)
where:
Base-Base interactions energy: -24.623
where: short stacking energy: -24.623
Base-Backbone interact. energy: 0.008
local terms energy: -52.522546
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -6.493
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -14.168
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: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -223.023378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.023378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.023378 (E_RNA)
where:
Base-Base interactions energy: -144.912
where: short stacking energy: -76.396
Base-Backbone interact. energy: -0.762
local terms energy: -77.349800
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -23.550
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: 221
Temperature: 0.950000
Total energy: -202.789270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.789270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.789270 (E_RNA)
where:
Base-Base interactions energy: -134.108
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.299
local terms energy: -68.382332
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -6.035
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: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -210.147521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.147521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.147521 (E_RNA)
where:
Base-Base interactions energy: -141.336
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.044
local terms energy: -68.766937
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -152.533075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.533075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.533075 (E_RNA)
where:
Base-Base interactions energy: -91.644
where: short stacking energy: -41.849
Base-Backbone interact. energy: -0.388
local terms energy: -60.501837
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -202.121948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.121948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.121948 (E_RNA)
where:
Base-Base interactions energy: -129.040
where: short stacking energy: -60.787
Base-Backbone interact. energy: 1.182
local terms energy: -74.263451
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -95.594800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.594800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.594800 (E_RNA)
where:
Base-Base interactions energy: -36.943
where: short stacking energy: -29.766
Base-Backbone interact. energy: -0.136
local terms energy: -58.516020
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -86.259432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.259432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.259432 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -33.826
Base-Backbone interact. energy: -1.050
local terms energy: -51.383469
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -100.746418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.746418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.746418 (E_RNA)
where:
Base-Base interactions energy: -38.215
where: short stacking energy: -30.412
Base-Backbone interact. energy: -0.094
local terms energy: -62.437752
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -88.138900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.138900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.138900 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -35.835
Base-Backbone interact. energy: -0.110
local terms energy: -52.194311
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -9.016
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: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -83.920594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.920594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.920594 (E_RNA)
where:
Base-Base interactions energy: -41.319
where: short stacking energy: -28.714
Base-Backbone interact. energy: 0.019
local terms energy: -42.620554
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -5.131
flat angles P-C4'-P energy: -6.665
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: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -202.369087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.369087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.369087 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.261
local terms energy: -70.912933
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -217.218294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.218294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.218294 (E_RNA)
where:
Base-Base interactions energy: -150.095
where: short stacking energy: -71.486
Base-Backbone interact. energy: -0.494
local terms energy: -66.629199
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -218.971253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.971253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.971253 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.041
local terms energy: -73.421879
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -157.959794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.959794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.959794 (E_RNA)
where:
Base-Base interactions energy: -103.925
where: short stacking energy: -53.201
Base-Backbone interact. energy: 0.384
local terms energy: -54.418847
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -6.613
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -215.680357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.680357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.680357 (E_RNA)
where:
Base-Base interactions energy: -140.167
where: short stacking energy: -67.299
Base-Backbone interact. energy: 0.080
local terms energy: -75.593399
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -12.486
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: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -109.298168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.298168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.298168 (E_RNA)
where:
Base-Base interactions energy: -51.406
where: short stacking energy: -51.406
Base-Backbone interact. energy: -0.041
local terms energy: -57.851300
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -11.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -81.166811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.166811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.166811 (E_RNA)
where:
Base-Base interactions energy: -24.384
where: short stacking energy: -24.384
Base-Backbone interact. energy: -0.013
local terms energy: -56.769305
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.948
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: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -79.122519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122519 (E_RNA)
where:
Base-Base interactions energy: -23.661
where: short stacking energy: -23.379
Base-Backbone interact. energy: -0.185
local terms energy: -55.276241
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -79.450204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.450204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.450204 (E_RNA)
where:
Base-Base interactions energy: -31.578
where: short stacking energy: -21.545
Base-Backbone interact. energy: -1.612
local terms energy: -46.259997
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: 0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -71.443052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.443052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.443052 (E_RNA)
where:
Base-Base interactions energy: -26.285
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.343
local terms energy: -44.814163
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: 1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -207.871290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.871290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.871290 (E_RNA)
where:
Base-Base interactions energy: -132.157
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.658
local terms energy: -75.056029
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -219.645808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645808 (E_RNA)
where:
Base-Base interactions energy: -147.750
where: short stacking energy: -64.933
Base-Backbone interact. energy: -0.016
local terms energy: -71.879707
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -196.735838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.735838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.735838 (E_RNA)
where:
Base-Base interactions energy: -137.495
where: short stacking energy: -46.108
Base-Backbone interact. energy: -0.081
local terms energy: -59.160296
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -0.806
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -204.903584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.903584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.903584 (E_RNA)
where:
Base-Base interactions energy: -136.685
where: short stacking energy: -54.982
Base-Backbone interact. energy: -0.001
local terms energy: -68.217288
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -17.510
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: 223
Temperature: 1.100000
Total energy: -144.274597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.274597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.274597 (E_RNA)
where:
Base-Base interactions energy: -85.842
where: short stacking energy: -44.544
Base-Backbone interact. energy: 0.888
local terms energy: -59.321194
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -92.301554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.301554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.301554 (E_RNA)
where:
Base-Base interactions energy: -36.449
where: short stacking energy: -29.983
Base-Backbone interact. energy: 0.592
local terms energy: -56.444996
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -2.298
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: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -88.801203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.801203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.801203 (E_RNA)
where:
Base-Base interactions energy: -32.277
where: short stacking energy: -31.768
Base-Backbone interact. energy: -0.038
local terms energy: -56.485824
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -89.234527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.234527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.234527 (E_RNA)
where:
Base-Base interactions energy: -36.922
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.124
local terms energy: -52.188311
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -98.066332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.066332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.066332 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -35.091
Base-Backbone interact. energy: -0.000
local terms energy: -62.975022
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -76.979478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.979478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.979478 (E_RNA)
where:
Base-Base interactions energy: -20.414
where: short stacking energy: -20.414
Base-Backbone interact. energy: -0.534
local terms energy: -56.030913
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -225.599223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.599223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.599223 (E_RNA)
where:
Base-Base interactions energy: -144.521
where: short stacking energy: -71.521
Base-Backbone interact. energy: -0.000
local terms energy: -81.077880
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -209.328560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.328560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.328560 (E_RNA)
where:
Base-Base interactions energy: -148.734
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.061
local terms energy: -60.533926
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -7.843
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: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -223.070173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.070173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.070173 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -63.192
Base-Backbone interact. energy: -1.436
local terms energy: -78.512249
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.166
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: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -189.393140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.393140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393140 (E_RNA)
where:
Base-Base interactions energy: -126.893
where: short stacking energy: -45.127
Base-Backbone interact. energy: -0.371
local terms energy: -62.129080
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -164.384674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.384674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.384674 (E_RNA)
where:
Base-Base interactions energy: -98.019
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.127
local terms energy: -66.238605
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -95.627951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.627951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.627951 (E_RNA)
where:
Base-Base interactions energy: -32.688
where: short stacking energy: -32.688
Base-Backbone interact. energy: 0.043
local terms energy: -62.983218
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -91.683809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.683809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.683809 (E_RNA)
where:
Base-Base interactions energy: -41.372
where: short stacking energy: -41.372
Base-Backbone interact. energy: -0.005
local terms energy: -50.306957
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -80.779689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.779689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.779689 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.037
local terms energy: -45.127321
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -91.177863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.177863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.177863 (E_RNA)
where:
Base-Base interactions energy: -40.464
where: short stacking energy: -34.312
Base-Backbone interact. energy: -1.111
local terms energy: -49.602565
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -92.004938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.004938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.004938 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -39.407
Base-Backbone interact. energy: -0.011
local terms energy: -51.635043
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -220.984104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.984104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.984104 (E_RNA)
where:
Base-Base interactions energy: -143.345
where: short stacking energy: -74.624
Base-Backbone interact. energy: -0.001
local terms energy: -77.638083
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.686
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: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -215.289548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.289548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.289548 (E_RNA)
where:
Base-Base interactions energy: -138.421
where: short stacking energy: -58.057
Base-Backbone interact. energy: -0.041
local terms energy: -76.826741
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -200.240337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.240337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.240337 (E_RNA)
where:
Base-Base interactions energy: -137.962
where: short stacking energy: -64.682
Base-Backbone interact. energy: -0.210
local terms energy: -62.069063
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -15.060
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: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -186.965009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.965009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.965009 (E_RNA)
where:
Base-Base interactions energy: -125.078
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.332
local terms energy: -61.554293
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -171.727755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.727755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.727755 (E_RNA)
where:
Base-Base interactions energy: -103.240
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.056
local terms energy: -68.432395
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -102.018373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.018373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.018373 (E_RNA)
where:
Base-Base interactions energy: -35.845
where: short stacking energy: -34.281
Base-Backbone interact. energy: -0.467
local terms energy: -65.706319
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -92.355467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.355467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.355467 (E_RNA)
where:
Base-Base interactions energy: -39.189
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.059
local terms energy: -53.107811
where:
bonds (distance) C4'-P energy: -8.469
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -94.459884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.459884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.459884 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -33.164
Base-Backbone interact. energy: -0.106
local terms energy: -52.466140
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -1.329
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: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -84.465311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.465311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.465311 (E_RNA)
where:
Base-Base interactions energy: -39.086
where: short stacking energy: -35.118
Base-Backbone interact. energy: 0.717
local terms energy: -46.095776
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -78.469631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.469631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.469631 (E_RNA)
where:
Base-Base interactions energy: -27.015
where: short stacking energy: -27.015
Base-Backbone interact. energy: -0.077
local terms energy: -51.378021
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -217.587928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.587928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.587928 (E_RNA)
where:
Base-Base interactions energy: -146.286
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.279
local terms energy: -71.023328
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -214.721229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.721229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.721229 (E_RNA)
where:
Base-Base interactions energy: -138.470
where: short stacking energy: -65.044
Base-Backbone interact. energy: -0.021
local terms energy: -76.229979
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -219.458475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.458475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.458475 (E_RNA)
where:
Base-Base interactions energy: -144.664
where: short stacking energy: -69.965
Base-Backbone interact. energy: -0.000
local terms energy: -74.794469
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -19.024
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: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -193.130741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.130741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.130741 (E_RNA)
where:
Base-Base interactions energy: -126.112
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.032
local terms energy: -66.986969
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -104.903317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.903317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.903317 (E_RNA)
where:
Base-Base interactions energy: -52.122
where: short stacking energy: -47.234
Base-Backbone interact. energy: -0.052
local terms energy: -52.728591
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -5.987
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: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -151.539460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.539460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.539460 (E_RNA)
where:
Base-Base interactions energy: -93.469
where: short stacking energy: -45.201
Base-Backbone interact. energy: -0.133
local terms energy: -57.937534
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -9.564
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: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -97.600329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600329 (E_RNA)
where:
Base-Base interactions energy: -37.476
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.229
local terms energy: -59.895241
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -87.572501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.572501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.572501 (E_RNA)
where:
Base-Base interactions energy: -33.657
where: short stacking energy: -25.584
Base-Backbone interact. energy: -0.185
local terms energy: -53.730871
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -87.065098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.065098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.065098 (E_RNA)
where:
Base-Base interactions energy: -31.296
where: short stacking energy: -31.296
Base-Backbone interact. energy: 1.484
local terms energy: -57.253384
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -73.757487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.757487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.757487 (E_RNA)
where:
Base-Base interactions energy: -26.882
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.483
local terms energy: -46.392144
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -226.986794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.986794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.986794 (E_RNA)
where:
Base-Base interactions energy: -149.267
where: short stacking energy: -69.049
Base-Backbone interact. energy: -0.006
local terms energy: -77.713791
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -224.942892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.942892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.942892 (E_RNA)
where:
Base-Base interactions energy: -144.011
where: short stacking energy: -66.816
Base-Backbone interact. energy: -1.283
local terms energy: -79.649060
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -209.319445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.319445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.319445 (E_RNA)
where:
Base-Base interactions energy: -139.167
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.000
local terms energy: -70.152546
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -199.884989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.884989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.884989 (E_RNA)
where:
Base-Base interactions energy: -131.272
where: short stacking energy: -58.760
Base-Backbone interact. energy: -0.032
local terms energy: -68.581706
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -105.445703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.445703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.445703 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -41.267
Base-Backbone interact. energy: 0.079
local terms energy: -56.844724
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -4.370
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: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -160.103232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.103232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.103232 (E_RNA)
where:
Base-Base interactions energy: -105.691
where: short stacking energy: -35.269
Base-Backbone interact. energy: -0.548
local terms energy: -53.863742
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -95.571692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.571692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.571692 (E_RNA)
where:
Base-Base interactions energy: -39.802
where: short stacking energy: -29.034
Base-Backbone interact. energy: -0.425
local terms energy: -55.345105
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -87.980438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.980438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.980438 (E_RNA)
where:
Base-Base interactions energy: -40.006
where: short stacking energy: -25.274
Base-Backbone interact. energy: -0.309
local terms energy: -47.665817
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -84.873852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.873852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.873852 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -35.264
Base-Backbone interact. energy: -0.216
local terms energy: -49.283702
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -9.505
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: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -86.544308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.544308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.544308 (E_RNA)
where:
Base-Base interactions energy: -33.407
where: short stacking energy: -18.441
Base-Backbone interact. energy: -0.143
local terms energy: -52.994289
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.200
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: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -229.203170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.203170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.203170 (E_RNA)
where:
Base-Base interactions energy: -150.605
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.009
local terms energy: -78.589974
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -222.738255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738255 (E_RNA)
where:
Base-Base interactions energy: -146.348
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.003
local terms energy: -76.386773
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -21.613
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: 228
Temperature: 1.000000
Total energy: -215.367455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.367455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.367455 (E_RNA)
where:
Base-Base interactions energy: -144.081
where: short stacking energy: -58.854
Base-Backbone interact. energy: -0.314
local terms energy: -70.972591
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -204.637711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.637711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.637711 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -64.235
Base-Backbone interact. energy: -0.064
local terms energy: -70.257900
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -8.803
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: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -158.079287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.079287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.079287 (E_RNA)
where:
Base-Base interactions energy: -102.310
where: short stacking energy: -36.787
Base-Backbone interact. energy: -0.827
local terms energy: -54.941686
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -97.289947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.289947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.289947 (E_RNA)
where:
Base-Base interactions energy: -41.132
where: short stacking energy: -41.132
Base-Backbone interact. energy: 0.567
local terms energy: -56.724547
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -95.248139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.248139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.248139 (E_RNA)
where:
Base-Base interactions energy: -40.619
where: short stacking energy: -40.619
Base-Backbone interact. energy: -0.030
local terms energy: -54.598438
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: 1.243
tors. eta vs tors. theta energy: -12.255
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: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -88.023750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.023750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.023750 (E_RNA)
where:
Base-Base interactions energy: -38.525
where: short stacking energy: -27.639
Base-Backbone interact. energy: -0.178
local terms energy: -49.320496
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -75.935888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.935888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.935888 (E_RNA)
where:
Base-Base interactions energy: -25.203
where: short stacking energy: -21.389
Base-Backbone interact. energy: -0.471
local terms energy: -50.262253
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -11.140
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: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -75.065101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.065101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.065101 (E_RNA)
where:
Base-Base interactions energy: -35.558
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.340
local terms energy: -39.166870
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -223.972675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.972675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.972675 (E_RNA)
where:
Base-Base interactions energy: -150.205
where: short stacking energy: -65.345
Base-Backbone interact. energy: -0.093
local terms energy: -73.674920
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -210.668153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.668153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.668153 (E_RNA)
where:
Base-Base interactions energy: -136.170
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.006
local terms energy: -74.492664
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -209.829029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.829029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.829029 (E_RNA)
where:
Base-Base interactions energy: -136.344
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.124
local terms energy: -73.361770
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.799
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: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -186.918624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.918624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.918624 (E_RNA)
where:
Base-Base interactions energy: -113.565
where: short stacking energy: -62.837
Base-Backbone interact. energy: -0.578
local terms energy: -72.775549
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -194.302600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.302600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.302600 (E_RNA)
where:
Base-Base interactions energy: -122.770
where: short stacking energy: -56.126
Base-Backbone interact. energy: -0.512
local terms energy: -71.020933
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -100.975463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.975463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.975463 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.170
local terms energy: -62.483555
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -12.881
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: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -100.678571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.678571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.678571 (E_RNA)
where:
Base-Base interactions energy: -36.986
where: short stacking energy: -32.779
Base-Backbone interact. energy: -0.284
local terms energy: -63.407906
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -88.037735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.037735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.037735 (E_RNA)
where:
Base-Base interactions energy: -34.298
where: short stacking energy: -32.340
Base-Backbone interact. energy: 0.432
local terms energy: -54.171444
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -82.012343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012343 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -33.476
Base-Backbone interact. energy: -0.384
local terms energy: -48.252554
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -1.731
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -82.491389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491389 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -28.060
Base-Backbone interact. energy: -0.314
local terms energy: -45.206520
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -211.625119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.625119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.625119 (E_RNA)
where:
Base-Base interactions energy: -148.813
where: short stacking energy: -60.763
Base-Backbone interact. energy: -0.328
local terms energy: -62.484546
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -14.136
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: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -222.973980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.973980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.973980 (E_RNA)
where:
Base-Base interactions energy: -147.648
where: short stacking energy: -70.918
Base-Backbone interact. energy: -0.017
local terms energy: -75.309180
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -215.410447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.410447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.410447 (E_RNA)
where:
Base-Base interactions energy: -136.539
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.093
local terms energy: -78.778407
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -175.250667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.250667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.250667 (E_RNA)
where:
Base-Base interactions energy: -109.877
where: short stacking energy: -57.424
Base-Backbone interact. energy: -0.292
local terms energy: -65.081563
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -185.677957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.677957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.677957 (E_RNA)
where:
Base-Base interactions energy: -122.801
where: short stacking energy: -59.954
Base-Backbone interact. energy: -0.012
local terms energy: -62.865039
where:
bonds (distance) C4'-P energy: -6.803
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -14.401
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: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -125.353106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.353106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.353106 (E_RNA)
where:
Base-Base interactions energy: -65.181
where: short stacking energy: -31.994
Base-Backbone interact. energy: -0.895
local terms energy: -59.277200
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -12.757
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: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -98.873561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.873561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.873561 (E_RNA)
where:
Base-Base interactions energy: -43.118
where: short stacking energy: -35.998
Base-Backbone interact. energy: -0.196
local terms energy: -55.559067
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -9.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -94.700780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.700780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.700780 (E_RNA)
where:
Base-Base interactions energy: -42.313
where: short stacking energy: -37.257
Base-Backbone interact. energy: -0.259
local terms energy: -52.129472
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -78.209016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.209016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.209016 (E_RNA)
where:
Base-Base interactions energy: -25.664
where: short stacking energy: -25.473
Base-Backbone interact. energy: 0.352
local terms energy: -52.897393
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -7.403
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: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -82.489890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.489890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.489890 (E_RNA)
where:
Base-Base interactions energy: -31.198
where: short stacking energy: -29.973
Base-Backbone interact. energy: -0.098
local terms energy: -51.193615
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -217.568508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.568508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.568508 (E_RNA)
where:
Base-Base interactions energy: -148.472
where: short stacking energy: -51.624
Base-Backbone interact. energy: -0.704
local terms energy: -68.393110
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -218.616626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.616626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.616626 (E_RNA)
where:
Base-Base interactions energy: -153.715
where: short stacking energy: -54.123
Base-Backbone interact. energy: -0.043
local terms energy: -64.859361
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -203.776919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.776919 (E_RNA)
where:
Base-Base interactions energy: -144.027
where: short stacking energy: -52.277
Base-Backbone interact. energy: -0.677
local terms energy: -59.072962
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -190.105945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.105945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.105945 (E_RNA)
where:
Base-Base interactions energy: -124.981
where: short stacking energy: -58.189
Base-Backbone interact. energy: -1.515
local terms energy: -63.610296
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -11.669
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: -155.520556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.520556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.520556 (E_RNA)
where:
Base-Base interactions energy: -91.430
where: short stacking energy: -50.271
Base-Backbone interact. energy: -0.248
local terms energy: -63.841779
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -98.826548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.826548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.826548 (E_RNA)
where:
Base-Base interactions energy: -44.357
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.177
local terms energy: -54.293084
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -108.296668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.296668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.296668 (E_RNA)
where:
Base-Base interactions energy: -54.533
where: short stacking energy: -22.649
Base-Backbone interact. energy: -0.252
local terms energy: -53.512163
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -83.516910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.516910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.516910 (E_RNA)
where:
Base-Base interactions energy: -32.242
where: short stacking energy: -22.988
Base-Backbone interact. energy: 0.799
local terms energy: -52.074071
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: 2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -101.964095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.964095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.964095 (E_RNA)
where:
Base-Base interactions energy: -47.810
where: short stacking energy: -34.438
Base-Backbone interact. energy: -0.647
local terms energy: -53.507468
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -81.355149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.355149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.355149 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -26.501
Base-Backbone interact. energy: 0.559
local terms energy: -41.259964
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -214.456462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.456462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.456462 (E_RNA)
where:
Base-Base interactions energy: -141.672
where: short stacking energy: -52.279
Base-Backbone interact. energy: -0.233
local terms energy: -72.551406
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -205.769466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.769466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.769466 (E_RNA)
where:
Base-Base interactions energy: -143.965
where: short stacking energy: -57.964
Base-Backbone interact. energy: 0.889
local terms energy: -62.694292
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -199.090503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.090503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.090503 (E_RNA)
where:
Base-Base interactions energy: -131.599
where: short stacking energy: -59.048
Base-Backbone interact. energy: -0.017
local terms energy: -67.473593
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -209.651883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.651883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.651883 (E_RNA)
where:
Base-Base interactions energy: -141.669
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.034
local terms energy: -67.948760
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -16.985
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: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -180.894175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.894175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.894175 (E_RNA)
where:
Base-Base interactions energy: -114.608
where: short stacking energy: -50.144
Base-Backbone interact. energy: -0.334
local terms energy: -65.952114
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -8.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -101.349650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.349650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.349650 (E_RNA)
where:
Base-Base interactions energy: -46.832
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.216
local terms energy: -54.300819
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -89.243937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.243937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.243937 (E_RNA)
where:
Base-Base interactions energy: -37.800
where: short stacking energy: -36.608
Base-Backbone interact. energy: 0.764
local terms energy: -52.208610
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -5.898
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -90.086268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.086268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.086268 (E_RNA)
where:
Base-Base interactions energy: -47.131
where: short stacking energy: -38.154
Base-Backbone interact. energy: -0.544
local terms energy: -42.411379
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -6.207
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: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -80.170051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.170051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.170051 (E_RNA)
where:
Base-Base interactions energy: -31.965
where: short stacking energy: -31.965
Base-Backbone interact. energy: -0.062
local terms energy: -48.143552
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -76.881583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.881583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.881583 (E_RNA)
where:
Base-Base interactions energy: -30.141
where: short stacking energy: -27.994
Base-Backbone interact. energy: 0.395
local terms energy: -47.135725
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -6.389
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: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -219.023842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.023842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.023842 (E_RNA)
where:
Base-Base interactions energy: -143.234
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.110
local terms energy: -75.679871
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -12.346
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: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -198.965303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.965303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.965303 (E_RNA)
where:
Base-Base interactions energy: -134.290
where: short stacking energy: -57.770
Base-Backbone interact. energy: 0.845
local terms energy: -65.519888
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -209.494876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.494876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.494876 (E_RNA)
where:
Base-Base interactions energy: -144.540
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.107
local terms energy: -64.847643
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -8.342
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: 4, replica: 6
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -187.089389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.089389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.089389 (E_RNA)
where:
Base-Base interactions energy: -119.863
where: short stacking energy: -53.972
Base-Backbone interact. energy: -0.312
local terms energy: -66.915010
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -211.378402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.378402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378402 (E_RNA)
where:
Base-Base interactions energy: -133.883
where: short stacking energy: -59.418
Base-Backbone interact. energy: -0.021
local terms energy: -77.474607
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -91.221115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.221115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.221115 (E_RNA)
where:
Base-Base interactions energy: -49.985
where: short stacking energy: -31.311
Base-Backbone interact. energy: -1.058
local terms energy: -40.178133
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -8.551
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: 0.827
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: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -93.875045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.875045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.875045 (E_RNA)
where:
Base-Base interactions energy: -50.585
where: short stacking energy: -32.824
Base-Backbone interact. energy: -0.106
local terms energy: -43.184196
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -87.915067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.915067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.915067 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.297
local terms energy: -53.373998
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -83.357962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357962 (E_RNA)
where:
Base-Base interactions energy: -40.990
where: short stacking energy: -33.097
Base-Backbone interact. energy: 0.840
local terms energy: -43.207328
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -8.867
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: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -81.753506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.753506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.753506 (E_RNA)
where:
Base-Base interactions energy: -36.137
where: short stacking energy: -24.010
Base-Backbone interact. energy: -0.142
local terms energy: -45.474787
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -221.331932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.331932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.331932 (E_RNA)
where:
Base-Base interactions energy: -146.172
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.355
local terms energy: -74.804430
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -19.305
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: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -198.985261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.985261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.985261 (E_RNA)
where:
Base-Base interactions energy: -129.113
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.003
local terms energy: -69.868617
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -13.403
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: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -210.395130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.395130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.395130 (E_RNA)
where:
Base-Base interactions energy: -143.154
where: short stacking energy: -53.734
Base-Backbone interact. energy: -1.044
local terms energy: -66.196824
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -208.908822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.908822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.908822 (E_RNA)
where:
Base-Base interactions energy: -129.782
where: short stacking energy: -55.677
Base-Backbone interact. energy: -0.024
local terms energy: -79.102628
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -205.862065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.862065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.862065 (E_RNA)
where:
Base-Base interactions energy: -134.114
where: short stacking energy: -63.898
Base-Backbone interact. energy: -0.041
local terms energy: -71.707208
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -105.160953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.160953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.160953 (E_RNA)
where:
Base-Base interactions energy: -40.855
where: short stacking energy: -36.475
Base-Backbone interact. energy: -0.353
local terms energy: -63.952955
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -92.809774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.809774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.809774 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -24.465
Base-Backbone interact. energy: -0.932
local terms energy: -53.348507
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -79.928623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.928623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.928623 (E_RNA)
where:
Base-Base interactions energy: -25.561
where: short stacking energy: -22.708
Base-Backbone interact. energy: -1.348
local terms energy: -53.019260
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -86.628692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.628692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.628692 (E_RNA)
where:
Base-Base interactions energy: -35.653
where: short stacking energy: -23.439
Base-Backbone interact. energy: -0.188
local terms energy: -50.787805
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -6.493
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: 2
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -81.581834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.581834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.581834 (E_RNA)
where:
Base-Base interactions energy: -26.482
where: short stacking energy: -26.482
Base-Backbone interact. energy: -0.196
local terms energy: -54.903765
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: 1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -218.018209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.018209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.018209 (E_RNA)
where:
Base-Base interactions energy: -138.364
where: short stacking energy: -58.737
Base-Backbone interact. energy: -1.269
local terms energy: -78.386105
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -20.033
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: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -206.324471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.324471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.324471 (E_RNA)
where:
Base-Base interactions energy: -139.328
where: short stacking energy: -61.544
Base-Backbone interact. energy: -1.304
local terms energy: -65.692162
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -205.794577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.794577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.794577 (E_RNA)
where:
Base-Base interactions energy: -130.885
where: short stacking energy: -64.348
Base-Backbone interact. energy: -0.082
local terms energy: -74.827364
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -206.481389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.481389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.481389 (E_RNA)
where:
Base-Base interactions energy: -139.566
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.018
local terms energy: -66.897234
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -184.425542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.425542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.425542 (E_RNA)
where:
Base-Base interactions energy: -113.504
where: short stacking energy: -51.642
Base-Backbone interact. energy: -0.087
local terms energy: -70.834780
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -17.692
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: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -93.644591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.644591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.644591 (E_RNA)
where:
Base-Base interactions energy: -41.332
where: short stacking energy: -33.870
Base-Backbone interact. energy: -0.002
local terms energy: -52.310506
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -93.311263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.311263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.311263 (E_RNA)
where:
Base-Base interactions energy: -37.779
where: short stacking energy: -36.404
Base-Backbone interact. energy: 0.188
local terms energy: -55.720048
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -94.569172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.569172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.569172 (E_RNA)
where:
Base-Base interactions energy: -38.058
where: short stacking energy: -33.183
Base-Backbone interact. energy: -0.014
local terms energy: -56.497241
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -8.868
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: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -78.802871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.802871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.802871 (E_RNA)
where:
Base-Base interactions energy: -26.128
where: short stacking energy: -23.086
Base-Backbone interact. energy: 0.515
local terms energy: -53.190314
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -8.313
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -83.193537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.193537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.193537 (E_RNA)
where:
Base-Base interactions energy: -41.133
where: short stacking energy: -29.637
Base-Backbone interact. energy: -1.163
local terms energy: -40.898280
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -6.955
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -227.435203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.435203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.435203 (E_RNA)
where:
Base-Base interactions energy: -147.405
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.044
local terms energy: -79.986434
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -13.450
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: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -202.941196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.941196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.941196 (E_RNA)
where:
Base-Base interactions energy: -142.970
where: short stacking energy: -65.884
Base-Backbone interact. energy: -0.348
local terms energy: -59.623578
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -221.857371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857371 (E_RNA)
where:
Base-Base interactions energy: -145.593
where: short stacking energy: -70.088
Base-Backbone interact. energy: -0.240
local terms energy: -76.024876
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -202.125992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.125992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.125992 (E_RNA)
where:
Base-Base interactions energy: -128.412
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.315
local terms energy: -73.398349
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -187.985827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.985827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.985827 (E_RNA)
where:
Base-Base interactions energy: -117.212
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.056
local terms energy: -70.717877
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -100.620416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.620416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.620416 (E_RNA)
where:
Base-Base interactions energy: -40.998
where: short stacking energy: -39.034
Base-Backbone interact. energy: -0.057
local terms energy: -59.565767
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -93.761191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.761191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.761191 (E_RNA)
where:
Base-Base interactions energy: -40.758
where: short stacking energy: -34.422
Base-Backbone interact. energy: -0.168
local terms energy: -52.835046
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -84.744981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.744981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.744981 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -30.391
Base-Backbone interact. energy: -0.105
local terms energy: -51.773899
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -89.081725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.081725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.081725 (E_RNA)
where:
Base-Base interactions energy: -35.536
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.553
local terms energy: -52.992593
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -84.470122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.470122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.470122 (E_RNA)
where:
Base-Base interactions energy: -33.554
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.207
local terms energy: -50.708634
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -226.036590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.036590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.036590 (E_RNA)
where:
Base-Base interactions energy: -146.676
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.010
local terms energy: -79.349923
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -9.606
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: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -220.458713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.458713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.458713 (E_RNA)
where:
Base-Base interactions energy: -146.076
where: short stacking energy: -67.382
Base-Backbone interact. energy: 1.672
local terms energy: -76.055078
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -211.007283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007283 (E_RNA)
where:
Base-Base interactions energy: -140.431
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.301
local terms energy: -70.275368
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -179.450789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.450789 (E_RNA)
where:
Base-Base interactions energy: -116.433
where: short stacking energy: -56.561
Base-Backbone interact. energy: -0.219
local terms energy: -62.798946
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -5.671
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: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -190.828361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.828361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.828361 (E_RNA)
where:
Base-Base interactions energy: -124.660
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.500
local terms energy: -65.667838
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -93.236013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.236013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.236013 (E_RNA)
where:
Base-Base interactions energy: -50.050
where: short stacking energy: -35.026
Base-Backbone interact. energy: -0.205
local terms energy: -42.980250
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -99.330190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.330190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.330190 (E_RNA)
where:
Base-Base interactions energy: -43.508
where: short stacking energy: -43.508
Base-Backbone interact. energy: -0.085
local terms energy: -55.737150
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -5.931
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: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -90.095033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.095033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.095033 (E_RNA)
where:
Base-Base interactions energy: -38.105
where: short stacking energy: -27.845
Base-Backbone interact. energy: -0.346
local terms energy: -51.644695
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -7.672
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -89.331413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.331413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.331413 (E_RNA)
where:
Base-Base interactions energy: -35.747
where: short stacking energy: -24.793
Base-Backbone interact. energy: -1.138
local terms energy: -52.446385
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -74.641548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.641548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.641548 (E_RNA)
where:
Base-Base interactions energy: -22.935
where: short stacking energy: -13.213
Base-Backbone interact. energy: -0.011
local terms energy: -51.695878
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -221.388615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.388615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.388615 (E_RNA)
where:
Base-Base interactions energy: -143.646
where: short stacking energy: -71.298
Base-Backbone interact. energy: -0.047
local terms energy: -77.695569
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -219.752893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.752893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.752893 (E_RNA)
where:
Base-Base interactions energy: -140.757
where: short stacking energy: -67.427
Base-Backbone interact. energy: -0.001
local terms energy: -78.994608
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -21.874
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: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -207.884546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.884546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.884546 (E_RNA)
where:
Base-Base interactions energy: -146.127
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.145
local terms energy: -61.613356
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -190.120949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.120949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.120949 (E_RNA)
where:
Base-Base interactions energy: -122.835
where: short stacking energy: -62.962
Base-Backbone interact. energy: 0.340
local terms energy: -67.625655
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -162.768457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.768457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.768457 (E_RNA)
where:
Base-Base interactions energy: -104.015
where: short stacking energy: -48.183
Base-Backbone interact. energy: -1.183
local terms energy: -57.570477
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -108.453315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.453315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.453315 (E_RNA)
where:
Base-Base interactions energy: -47.667
where: short stacking energy: -36.719
Base-Backbone interact. energy: 0.195
local terms energy: -60.981608
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -92.429453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429453 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -35.241
Base-Backbone interact. energy: -0.002
local terms energy: -55.814869
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -94.025881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.025881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.025881 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -24.569
Base-Backbone interact. energy: -0.063
local terms energy: -57.885172
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -9.618
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: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -73.885783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.885783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.885783 (E_RNA)
where:
Base-Base interactions energy: -24.033
where: short stacking energy: -21.848
Base-Backbone interact. energy: -0.113
local terms energy: -49.739540
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: 0.073
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: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -84.727113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.727113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.727113 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.328
local terms energy: -52.965002
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -4.263
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: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -231.525408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.525408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525408 (E_RNA)
where:
Base-Base interactions energy: -154.567
where: short stacking energy: -81.073
Base-Backbone interact. energy: -0.009
local terms energy: -76.948915
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -217.986901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.986901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.986901 (E_RNA)
where:
Base-Base interactions energy: -156.465
where: short stacking energy: -52.196
Base-Backbone interact. energy: 0.081
local terms energy: -61.602632
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -218.626646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.626646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.626646 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -59.325
Base-Backbone interact. energy: -1.339
local terms energy: -79.715878
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -195.357736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.357736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.357736 (E_RNA)
where:
Base-Base interactions energy: -131.631
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.042
local terms energy: -63.684272
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -11.817
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: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -172.577456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.577456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.577456 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -44.750
Base-Backbone interact. energy: -0.102
local terms energy: -60.869990
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -109.607646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.607646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.607646 (E_RNA)
where:
Base-Base interactions energy: -47.519
where: short stacking energy: -47.208
Base-Backbone interact. energy: -0.126
local terms energy: -61.962538
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -91.059237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.059237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.059237 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -24.783
Base-Backbone interact. energy: 0.075
local terms energy: -52.310518
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -7.659
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: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -85.802733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.802733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.802733 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -31.565
Base-Backbone interact. energy: -0.132
local terms energy: -53.679175
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.319
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: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -86.081546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.081546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.081546 (E_RNA)
where:
Base-Base interactions energy: -39.608
where: short stacking energy: -39.104
Base-Backbone interact. energy: -0.158
local terms energy: -46.315037
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -4.267
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: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -75.889762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.889762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.889762 (E_RNA)
where:
Base-Base interactions energy: -32.107
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.091
local terms energy: -43.691219
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: 1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -221.700539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.700539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.700539 (E_RNA)
where:
Base-Base interactions energy: -156.574
where: short stacking energy: -56.368
Base-Backbone interact. energy: -0.700
local terms energy: -64.426210
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -213.380428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.380428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.380428 (E_RNA)
where:
Base-Base interactions energy: -141.629
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.114
local terms energy: -71.637394
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.214
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: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -207.998033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.998033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.998033 (E_RNA)
where:
Base-Base interactions energy: -134.115
where: short stacking energy: -57.765
Base-Backbone interact. energy: -1.729
local terms energy: -72.154605
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -199.294512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.294512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.294512 (E_RNA)
where:
Base-Base interactions energy: -127.169
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.045
local terms energy: -72.080819
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -105.873006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873006 (E_RNA)
where:
Base-Base interactions energy: -53.108
where: short stacking energy: -48.641
Base-Backbone interact. energy: 0.166
local terms energy: -52.931347
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -153.308985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.308985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.308985 (E_RNA)
where:
Base-Base interactions energy: -98.691
where: short stacking energy: -36.895
Base-Backbone interact. energy: -0.319
local terms energy: -54.298970
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -7.192
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: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -84.796763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.796763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.796763 (E_RNA)
where:
Base-Base interactions energy: -36.722
where: short stacking energy: -36.066
Base-Backbone interact. energy: -0.159
local terms energy: -47.915711
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -1.438
tors. eta vs tors. theta energy: -7.972
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: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -92.480897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.480897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.480897 (E_RNA)
where:
Base-Base interactions energy: -40.508
where: short stacking energy: -33.930
Base-Backbone interact. energy: 0.588
local terms energy: -52.560645
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -92.872580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.872580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.872580 (E_RNA)
where:
Base-Base interactions energy: -39.742
where: short stacking energy: -39.742
Base-Backbone interact. energy: -0.009
local terms energy: -53.122144
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -81.462479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.462479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.462479 (E_RNA)
where:
Base-Base interactions energy: -29.811
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.167
local terms energy: -51.485089
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -221.240538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.240538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.240538 (E_RNA)
where:
Base-Base interactions energy: -156.010
where: short stacking energy: -52.509
Base-Backbone interact. energy: -0.263
local terms energy: -64.967228
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -218.655099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.655099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.655099 (E_RNA)
where:
Base-Base interactions energy: -147.814
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.017
local terms energy: -70.824803
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -20.458
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: 241
Temperature: 1.000000
Total energy: -222.302625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.302625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.302625 (E_RNA)
where:
Base-Base interactions energy: -140.421
where: short stacking energy: -64.172
Base-Backbone interact. energy: -1.977
local terms energy: -79.903887
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -202.159775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.159775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.159775 (E_RNA)
where:
Base-Base interactions energy: -125.696
where: short stacking energy: -61.022
Base-Backbone interact. energy: -0.487
local terms energy: -75.976541
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -10.926
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: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -102.564683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.564683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.564683 (E_RNA)
where:
Base-Base interactions energy: -41.262
where: short stacking energy: -41.262
Base-Backbone interact. energy: -0.019
local terms energy: -61.284238
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -99.419857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.419857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.419857 (E_RNA)
where:
Base-Base interactions energy: -42.486
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.027
local terms energy: -56.907163
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -127.134557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.134557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.134557 (E_RNA)
where:
Base-Base interactions energy: -79.040
where: short stacking energy: -44.245
Base-Backbone interact. energy: -0.007
local terms energy: -48.087122
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -88.853025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.853025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.853025 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -30.511
Base-Backbone interact. energy: -0.001
local terms energy: -58.340787
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -82.653497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.653497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.653497 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -34.101
Base-Backbone interact. energy: 1.059
local terms energy: -49.611190
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -6.114
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: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -84.396519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.396519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.396519 (E_RNA)
where:
Base-Base interactions energy: -27.268
where: short stacking energy: -27.268
Base-Backbone interact. energy: 0.621
local terms energy: -57.748972
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -9.365
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: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -223.456664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.456664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.456664 (E_RNA)
where:
Base-Base interactions energy: -145.970
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.307
local terms energy: -77.179078
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.077
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: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -211.170345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.170345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.170345 (E_RNA)
where:
Base-Base interactions energy: -143.092
where: short stacking energy: -53.258
Base-Backbone interact. energy: 0.185
local terms energy: -68.262976
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -220.908342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.908342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.908342 (E_RNA)
where:
Base-Base interactions energy: -148.403
where: short stacking energy: -64.553
Base-Backbone interact. energy: -1.159
local terms energy: -71.346828
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.777
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: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -189.572445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.572445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.572445 (E_RNA)
where:
Base-Base interactions energy: -123.582
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.118
local terms energy: -65.871881
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -5.323
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: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -94.576123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.576123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.576123 (E_RNA)
where:
Base-Base interactions energy: -33.948
where: short stacking energy: -33.948
Base-Backbone interact. energy: -0.359
local terms energy: -60.269184
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -104.477646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.477646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.477646 (E_RNA)
where:
Base-Base interactions energy: -58.338
where: short stacking energy: -31.479
Base-Backbone interact. energy: -0.709
local terms energy: -45.431219
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -90.900703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900703 (E_RNA)
where:
Base-Base interactions energy: -34.957
where: short stacking energy: -36.243
Base-Backbone interact. energy: -0.070
local terms energy: -55.873223
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -105.718746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.718746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.718746 (E_RNA)
where:
Base-Base interactions energy: -54.852
where: short stacking energy: -28.011
Base-Backbone interact. energy: 1.459
local terms energy: -52.325934
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -0.002
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: 242
Temperature: 1.300000
Total energy: -89.705142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.705142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.705142 (E_RNA)
where:
Base-Base interactions energy: -41.477
where: short stacking energy: -32.197
Base-Backbone interact. energy: -0.157
local terms energy: -48.071034
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -84.055384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.055384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.055384 (E_RNA)
where:
Base-Base interactions energy: -40.585
where: short stacking energy: -25.960
Base-Backbone interact. energy: -0.104
local terms energy: -43.366215
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: 1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -217.772581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.772581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.772581 (E_RNA)
where:
Base-Base interactions energy: -140.535
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.071
local terms energy: -77.166811
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.618
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: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -220.080222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.080222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.080222 (E_RNA)
where:
Base-Base interactions energy: -141.898
where: short stacking energy: -68.421
Base-Backbone interact. energy: -0.002
local terms energy: -78.179671
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -209.199106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.199106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.199106 (E_RNA)
where:
Base-Base interactions energy: -145.714
where: short stacking energy: -50.485
Base-Backbone interact. energy: -0.500
local terms energy: -62.985381
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -10.529
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: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -207.634428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.634428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.634428 (E_RNA)
where:
Base-Base interactions energy: -137.673
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.028
local terms energy: -69.933131
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -95.087985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.087985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.087985 (E_RNA)
where:
Base-Base interactions energy: -43.229
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.136
local terms energy: -51.722045
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -120.197428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.197428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.197428 (E_RNA)
where:
Base-Base interactions energy: -61.733
where: short stacking energy: -30.334
Base-Backbone interact. energy: -0.420
local terms energy: -58.044123
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -99.300164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.300164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.300164 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -39.729
Base-Backbone interact. energy: -0.206
local terms energy: -53.309681
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -93.406041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.406041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.406041 (E_RNA)
where:
Base-Base interactions energy: -35.617
where: short stacking energy: -33.297
Base-Backbone interact. energy: 0.177
local terms energy: -57.965229
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -79.946603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.946603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.946603 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -23.857
Base-Backbone interact. energy: -0.106
local terms energy: -48.233050
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -77.406662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.406662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.406662 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -23.370
Base-Backbone interact. energy: -0.205
local terms energy: -44.700817
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -214.213636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.213636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.213636 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -66.060
Base-Backbone interact. energy: -0.003
local terms energy: -72.372511
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -222.127192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.127192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.127192 (E_RNA)
where:
Base-Base interactions energy: -139.205
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.591
local terms energy: -82.330998
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -23.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -205.392904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.392904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.392904 (E_RNA)
where:
Base-Base interactions energy: -144.618
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.108
local terms energy: -60.667182
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -200.099690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.099690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.099690 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.722
local terms energy: -56.952722
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -111.021883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.021883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.021883 (E_RNA)
where:
Base-Base interactions energy: -52.933
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.083
local terms energy: -58.006201
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -128.423996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.423996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.423996 (E_RNA)
where:
Base-Base interactions energy: -77.125
where: short stacking energy: -34.008
Base-Backbone interact. energy: -0.055
local terms energy: -51.243567
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -8.180
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -91.399124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.399124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.399124 (E_RNA)
where:
Base-Base interactions energy: -32.070
where: short stacking energy: -31.616
Base-Backbone interact. energy: -0.235
local terms energy: -59.093729
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -83.979475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.979475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.979475 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.133
local terms energy: -52.924064
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: 0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -85.677995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677995 (E_RNA)
where:
Base-Base interactions energy: -34.470
where: short stacking energy: -34.470
Base-Backbone interact. energy: -0.239
local terms energy: -50.969056
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -6.698
flat angles P-C4'-P energy: -10.129
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: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -88.717857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.717857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.717857 (E_RNA)
where:
Base-Base interactions energy: -33.092
where: short stacking energy: -30.732
Base-Backbone interact. energy: 0.247
local terms energy: -55.872280
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -10.334
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: 245
Temperature: 0.900000
Total energy: -215.446976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.446976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.446976 (E_RNA)
where:
Base-Base interactions energy: -140.153
where: short stacking energy: -64.207
Base-Backbone interact. energy: -0.010
local terms energy: -75.284412
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -11.043
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: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -220.620437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.620437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.620437 (E_RNA)
where:
Base-Base interactions energy: -142.259
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.178
local terms energy: -78.183479
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -216.257716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.257716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.257716 (E_RNA)
where:
Base-Base interactions energy: -139.200
where: short stacking energy: -67.928
Base-Backbone interact. energy: 0.789
local terms energy: -77.847114
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -198.908230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.908230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.908230 (E_RNA)
where:
Base-Base interactions energy: -138.799
where: short stacking energy: -52.886
Base-Backbone interact. energy: -0.352
local terms energy: -59.757275
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -97.586762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.586762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.586762 (E_RNA)
where:
Base-Base interactions energy: -41.166
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.093
local terms energy: -56.328305
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -144.148986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.148986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.148986 (E_RNA)
where:
Base-Base interactions energy: -86.819
where: short stacking energy: -38.849
Base-Backbone interact. energy: -0.719
local terms energy: -56.611952
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -104.151326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.151326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.151326 (E_RNA)
where:
Base-Base interactions energy: -47.857
where: short stacking energy: -33.916
Base-Backbone interact. energy: -0.240
local terms energy: -56.053377
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: -11.532
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: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -97.680029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.680029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.680029 (E_RNA)
where:
Base-Base interactions energy: -47.465
where: short stacking energy: -28.716
Base-Backbone interact. energy: -1.288
local terms energy: -48.926699
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -78.506531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.506531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.506531 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -26.946
Base-Backbone interact. energy: 0.096
local terms energy: -46.533313
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -73.709887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.709887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.709887 (E_RNA)
where:
Base-Base interactions energy: -35.006
where: short stacking energy: -13.411
Base-Backbone interact. energy: 0.371
local terms energy: -39.074892
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -223.731238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.731238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.731238 (E_RNA)
where:
Base-Base interactions energy: -145.435
where: short stacking energy: -70.917
Base-Backbone interact. energy: -0.346
local terms energy: -77.950133
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -18.122
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: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -207.526742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.526742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.526742 (E_RNA)
where:
Base-Base interactions energy: -131.723
where: short stacking energy: -66.796
Base-Backbone interact. energy: 1.379
local terms energy: -77.182632
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -214.129506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.129506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.129506 (E_RNA)
where:
Base-Base interactions energy: -144.761
where: short stacking energy: -66.391
Base-Backbone interact. energy: -0.606
local terms energy: -68.762305
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -186.329064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.329064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.329064 (E_RNA)
where:
Base-Base interactions energy: -126.297
where: short stacking energy: -45.218
Base-Backbone interact. energy: -1.134
local terms energy: -58.898210
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -11.935
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -165.331646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.331646 (E_RNA)
where:
Base-Base interactions energy: -96.329
where: short stacking energy: -57.244
Base-Backbone interact. energy: 0.944
local terms energy: -69.946351
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -92.275846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275846 (E_RNA)
where:
Base-Base interactions energy: -47.393
where: short stacking energy: -41.336
Base-Backbone interact. energy: 1.132
local terms energy: -46.014695
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -2.784
tors. eta vs tors. theta energy: -4.533
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: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -88.927004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927004 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -27.696
Base-Backbone interact. energy: -0.253
local terms energy: -53.177345
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -87.591977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591977 (E_RNA)
where:
Base-Base interactions energy: -34.069
where: short stacking energy: -29.244
Base-Backbone interact. energy: -1.005
local terms energy: -52.518014
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -5.660
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: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -79.579313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.579313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.579313 (E_RNA)
where:
Base-Base interactions energy: -36.720
where: short stacking energy: -33.496
Base-Backbone interact. energy: -0.579
local terms energy: -42.280260
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -6.236
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -81.641074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.641074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.641074 (E_RNA)
where:
Base-Base interactions energy: -31.204
where: short stacking energy: -31.204
Base-Backbone interact. energy: 0.007
local terms energy: -50.443547
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -225.525842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.525842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.525842 (E_RNA)
where:
Base-Base interactions energy: -143.703
where: short stacking energy: -76.178
Base-Backbone interact. energy: -0.037
local terms energy: -81.785378
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -20.642
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: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -220.633596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.633596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.633596 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.001
local terms energy: -77.289915
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -201.353144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.353144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.353144 (E_RNA)
where:
Base-Base interactions energy: -131.337
where: short stacking energy: -65.434
Base-Backbone interact. energy: -0.086
local terms energy: -69.930364
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -10.171
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: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -164.864466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.864466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.864466 (E_RNA)
where:
Base-Base interactions energy: -101.191
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.554
local terms energy: -63.120247
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -180.280004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.280004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.280004 (E_RNA)
where:
Base-Base interactions energy: -129.579
where: short stacking energy: -42.253
Base-Backbone interact. energy: 0.902
local terms energy: -51.603071
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -101.236665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.236665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.236665 (E_RNA)
where:
Base-Base interactions energy: -41.503
where: short stacking energy: -41.356
Base-Backbone interact. energy: -0.116
local terms energy: -59.617444
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -90.108796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.108796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.108796 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -34.392
Base-Backbone interact. energy: -0.468
local terms energy: -54.965602
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -11.817
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: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -81.285791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.285791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.285791 (E_RNA)
where:
Base-Base interactions energy: -31.569
where: short stacking energy: -27.652
Base-Backbone interact. energy: -0.487
local terms energy: -49.229658
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -91.592247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.592247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.592247 (E_RNA)
where:
Base-Base interactions energy: -41.003
where: short stacking energy: -35.840
Base-Backbone interact. energy: 1.790
local terms energy: -52.379600
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -74.739391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.739391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.739391 (E_RNA)
where:
Base-Base interactions energy: -19.722
where: short stacking energy: -15.269
Base-Backbone interact. energy: -0.172
local terms energy: -54.845621
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -0.403
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: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -227.529660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.529660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.529660 (E_RNA)
where:
Base-Base interactions energy: -146.396
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.010
local terms energy: -81.123320
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -219.537990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.537990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.537990 (E_RNA)
where:
Base-Base interactions energy: -153.281
where: short stacking energy: -59.580
Base-Backbone interact. energy: -0.558
local terms energy: -65.698584
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -215.618051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.618051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.618051 (E_RNA)
where:
Base-Base interactions energy: -142.975
where: short stacking energy: -64.689
Base-Backbone interact. energy: -0.482
local terms energy: -72.161390
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -149.954274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.954274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.954274 (E_RNA)
where:
Base-Base interactions energy: -88.435
where: short stacking energy: -40.397
Base-Backbone interact. energy: -0.257
local terms energy: -61.262236
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -190.311553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.311553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.311553 (E_RNA)
where:
Base-Base interactions energy: -130.008
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.279
local terms energy: -60.024620
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -93.767332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.767332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.767332 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.177
local terms energy: -50.742138
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -92.309156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.309156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.309156 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -36.416
Base-Backbone interact. energy: -0.160
local terms energy: -55.732996
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -4.506
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: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -90.478508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.478508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.478508 (E_RNA)
where:
Base-Base interactions energy: -39.274
where: short stacking energy: -39.077
Base-Backbone interact. energy: -0.004
local terms energy: -51.201202
where:
bonds (distance) C4'-P energy: -7.130
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -79.623192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.623192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.623192 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.701
local terms energy: -49.898114
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -9.723
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: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -82.051448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.051448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.051448 (E_RNA)
where:
Base-Base interactions energy: -28.535
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.062
local terms energy: -53.454592
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -223.580751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.580751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.580751 (E_RNA)
where:
Base-Base interactions energy: -144.241
where: short stacking energy: -73.281
Base-Backbone interact. energy: -0.026
local terms energy: -79.313853
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -22.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -203.165315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.165315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.165315 (E_RNA)
where:
Base-Base interactions energy: -130.042
where: short stacking energy: -61.502
Base-Backbone interact. energy: -0.015
local terms energy: -73.108204
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -11.690
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: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -218.961887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.961887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.961887 (E_RNA)
where:
Base-Base interactions energy: -148.044
where: short stacking energy: -71.125
Base-Backbone interact. energy: -0.173
local terms energy: -70.744124
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -7.618
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: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -191.774963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774963 (E_RNA)
where:
Base-Base interactions energy: -126.218
where: short stacking energy: -43.767
Base-Backbone interact. energy: 0.052
local terms energy: -65.608718
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -139.782009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.782009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.782009 (E_RNA)
where:
Base-Base interactions energy: -74.694
where: short stacking energy: -42.947
Base-Backbone interact. energy: -0.033
local terms energy: -65.055512
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -11.959
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: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -100.595721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.595721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.595721 (E_RNA)
where:
Base-Base interactions energy: -42.782
where: short stacking energy: -28.866
Base-Backbone interact. energy: -1.338
local terms energy: -56.476382
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -85.333562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.333562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.333562 (E_RNA)
where:
Base-Base interactions energy: -29.217
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.216
local terms energy: -55.900126
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -98.221164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.221164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.221164 (E_RNA)
where:
Base-Base interactions energy: -46.576
where: short stacking energy: -36.434
Base-Backbone interact. energy: 0.872
local terms energy: -52.517898
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.722
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: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -78.973061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.973061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.973061 (E_RNA)
where:
Base-Base interactions energy: -27.256
where: short stacking energy: -28.229
Base-Backbone interact. energy: -0.018
local terms energy: -51.699396
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -85.877519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.877519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.877519 (E_RNA)
where:
Base-Base interactions energy: -41.173
where: short stacking energy: -17.271
Base-Backbone interact. energy: -0.878
local terms energy: -43.825988
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: 2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -222.921433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.921433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.921433 (E_RNA)
where:
Base-Base interactions energy: -146.017
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.117
local terms energy: -76.787194
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.565
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: 250
Temperature: 0.950000
Total energy: -197.737970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.737970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.737970 (E_RNA)
where:
Base-Base interactions energy: -131.679
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.412
local terms energy: -65.647582
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -195.058152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.058152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.058152 (E_RNA)
where:
Base-Base interactions energy: -132.678
where: short stacking energy: -44.801
Base-Backbone interact. energy: -0.640
local terms energy: -61.740407
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -9.500
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: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -214.340360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.340360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.340360 (E_RNA)
where:
Base-Base interactions energy: -142.666
where: short stacking energy: -67.675
Base-Backbone interact. energy: -0.356
local terms energy: -71.318042
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -151.897761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.897761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.897761 (E_RNA)
where:
Base-Base interactions energy: -94.956
where: short stacking energy: -45.347
Base-Backbone interact. energy: -0.237
local terms energy: -56.705039
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -11.093
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: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -88.185344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.185344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.185344 (E_RNA)
where:
Base-Base interactions energy: -32.190
where: short stacking energy: -32.290
Base-Backbone interact. energy: -0.597
local terms energy: -55.398009
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -96.342024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.342024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.342024 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -39.328
Base-Backbone interact. energy: -0.138
local terms energy: -56.876491
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -10.549
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: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -86.503041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.503041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.503041 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -25.319
Base-Backbone interact. energy: -0.248
local terms energy: -52.567614
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -80.456497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.456497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.456497 (E_RNA)
where:
Base-Base interactions energy: -36.585
where: short stacking energy: -35.102
Base-Backbone interact. energy: -1.796
local terms energy: -42.075620
where:
bonds (distance) C4'-P energy: -5.380
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -75.142487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.142487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.142487 (E_RNA)
where:
Base-Base interactions energy: -26.625
where: short stacking energy: -26.625
Base-Backbone interact. energy: -0.009
local terms energy: -48.509362
where:
bonds (distance) C4'-P energy: -8.320
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -222.058290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.058290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.058290 (E_RNA)
where:
Base-Base interactions energy: -147.131
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.345
local terms energy: -74.581968
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -217.040139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.040139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.040139 (E_RNA)
where:
Base-Base interactions energy: -149.954
where: short stacking energy: -57.139
Base-Backbone interact. energy: -1.606
local terms energy: -65.480782
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -202.366528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.366528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.366528 (E_RNA)
where:
Base-Base interactions energy: -131.287
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.432
local terms energy: -70.647110
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.450
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: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -205.682503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.682503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.682503 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.014
local terms energy: -69.512538
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -16.090
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -162.372214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.372214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.372214 (E_RNA)
where:
Base-Base interactions energy: -101.191
where: short stacking energy: -59.976
Base-Backbone interact. energy: -0.078
local terms energy: -61.102963
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.170
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: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -106.928795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.928795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.928795 (E_RNA)
where:
Base-Base interactions energy: -49.345
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.115
local terms energy: -57.468798
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -97.518860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.518860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.518860 (E_RNA)
where:
Base-Base interactions energy: -42.196
where: short stacking energy: -41.735
Base-Backbone interact. energy: -0.283
local terms energy: -55.040226
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.670
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: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -135.123765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.123765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.123765 (E_RNA)
where:
Base-Base interactions energy: -85.545
where: short stacking energy: -38.542
Base-Backbone interact. energy: 2.386
local terms energy: -51.964965
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -91.013198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.013198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.013198 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.164
local terms energy: -51.923734
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -71.189291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.189291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.189291 (E_RNA)
where:
Base-Base interactions energy: -23.923
where: short stacking energy: -20.871
Base-Backbone interact. energy: -0.272
local terms energy: -46.993794
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -218.346398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.346398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.346398 (E_RNA)
where:
Base-Base interactions energy: -151.098
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.149
local terms energy: -67.099830
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -216.046772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.046772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.046772 (E_RNA)
where:
Base-Base interactions energy: -145.937
where: short stacking energy: -66.025
Base-Backbone interact. energy: -0.047
local terms energy: -70.062882
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -17.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -212.588156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.588156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.588156 (E_RNA)
where:
Base-Base interactions energy: -141.858
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.005
local terms energy: -70.724277
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -19.662
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: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -190.978172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.978172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.978172 (E_RNA)
where:
Base-Base interactions energy: -126.776
where: short stacking energy: -54.584
Base-Backbone interact. energy: -0.898
local terms energy: -63.303383
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.916
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: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -151.277644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.277644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.277644 (E_RNA)
where:
Base-Base interactions energy: -87.217
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.023
local terms energy: -64.037867
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -92.395861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.395861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.395861 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -35.826
Base-Backbone interact. energy: -0.223
local terms energy: -56.346940
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -150.690236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.690236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.690236 (E_RNA)
where:
Base-Base interactions energy: -98.684
where: short stacking energy: -42.280
Base-Backbone interact. energy: 0.942
local terms energy: -52.948478
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -89.534881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534881 (E_RNA)
where:
Base-Base interactions energy: -36.930
where: short stacking energy: -36.930
Base-Backbone interact. energy: -0.132
local terms energy: -52.472157
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -91.930108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.930108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.930108 (E_RNA)
where:
Base-Base interactions energy: -44.505
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.055
local terms energy: -47.369973
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -81.527943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.527943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.527943 (E_RNA)
where:
Base-Base interactions energy: -36.145
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.090
local terms energy: -45.293116
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -219.191726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.191726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.191726 (E_RNA)
where:
Base-Base interactions energy: -151.467
where: short stacking energy: -58.215
Base-Backbone interact. energy: 0.904
local terms energy: -68.628207
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -13.061
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: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -218.456579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.456579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.456579 (E_RNA)
where:
Base-Base interactions energy: -141.472
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.433
local terms energy: -76.550883
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -211.243734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.243734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.243734 (E_RNA)
where:
Base-Base interactions energy: -137.721
where: short stacking energy: -71.344
Base-Backbone interact. energy: -0.020
local terms energy: -73.502708
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -202.444668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.444668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.444668 (E_RNA)
where:
Base-Base interactions energy: -132.283
where: short stacking energy: -62.480
Base-Backbone interact. energy: 0.497
local terms energy: -70.658088
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -11.515
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: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -183.067940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.067940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.067940 (E_RNA)
where:
Base-Base interactions energy: -112.415
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.008
local terms energy: -70.644835
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.889
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: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -167.146127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.146127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.146127 (E_RNA)
where:
Base-Base interactions energy: -104.609
where: short stacking energy: -47.651
Base-Backbone interact. energy: -2.785
local terms energy: -59.752036
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -10.681
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: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -94.739468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.739468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.739468 (E_RNA)
where:
Base-Base interactions energy: -35.116
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.120
local terms energy: -59.503408
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -79.915041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.915041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.915041 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -28.967
Base-Backbone interact. energy: -0.223
local terms energy: -49.320238
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -1.524
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: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -81.001838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.001838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.001838 (E_RNA)
where:
Base-Base interactions energy: -31.293
where: short stacking energy: -25.884
Base-Backbone interact. energy: -0.575
local terms energy: -49.133716
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -1.491
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: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -78.249845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.249845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.249845 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -30.394
Base-Backbone interact. energy: -0.255
local terms energy: -47.601193
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -8.498
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -4.150
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: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -220.460921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.460921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.460921 (E_RNA)
where:
Base-Base interactions energy: -153.090
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.034
local terms energy: -67.337063
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -220.383514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.383514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.383514 (E_RNA)
where:
Base-Base interactions energy: -150.908
where: short stacking energy: -55.266
Base-Backbone interact. energy: -1.094
local terms energy: -68.381156
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -207.251028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.251028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.251028 (E_RNA)
where:
Base-Base interactions energy: -136.726
where: short stacking energy: -63.366
Base-Backbone interact. energy: -0.600
local terms energy: -69.924775
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -211.657621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.657621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.657621 (E_RNA)
where:
Base-Base interactions energy: -144.915
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.013
local terms energy: -66.729027
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -9.035
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: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -189.491619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.491619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.491619 (E_RNA)
where:
Base-Base interactions energy: -113.764
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.054
local terms energy: -75.673067
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -167.236476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.236476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.236476 (E_RNA)
where:
Base-Base interactions energy: -98.734
where: short stacking energy: -51.985
Base-Backbone interact. energy: -0.474
local terms energy: -68.028104
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -84.128424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.128424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.128424 (E_RNA)
where:
Base-Base interactions energy: -37.130
where: short stacking energy: -37.130
Base-Backbone interact. energy: -0.091
local terms energy: -46.907572
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -10.752
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: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -90.234090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.234090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.234090 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -36.944
Base-Backbone interact. energy: -0.159
local terms energy: -53.130827
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -128.735745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.735745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.735745 (E_RNA)
where:
Base-Base interactions energy: -69.409
where: short stacking energy: -41.716
Base-Backbone interact. energy: -0.323
local terms energy: -59.002923
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -85.121137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.121137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.121137 (E_RNA)
where:
Base-Base interactions energy: -27.884
where: short stacking energy: -27.663
Base-Backbone interact. energy: 2.716
local terms energy: -59.952985
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -219.271698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.271698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.271698 (E_RNA)
where:
Base-Base interactions energy: -154.530
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.342
local terms energy: -64.400195
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -213.118636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.118636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.118636 (E_RNA)
where:
Base-Base interactions energy: -148.731
where: short stacking energy: -59.103
Base-Backbone interact. energy: -1.136
local terms energy: -63.251943
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -12.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -179.500879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.500879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.500879 (E_RNA)
where:
Base-Base interactions energy: -117.399
where: short stacking energy: -46.697
Base-Backbone interact. energy: -0.361
local terms energy: -61.740605
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -9.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -213.738460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.738460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.738460 (E_RNA)
where:
Base-Base interactions energy: -143.818
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.001
local terms energy: -69.919168
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -6.795
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: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -163.451758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.451758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.451758 (E_RNA)
where:
Base-Base interactions energy: -101.709
where: short stacking energy: -47.221
Base-Backbone interact. energy: 0.010
local terms energy: -61.752882
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.235
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: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -166.113717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113717 (E_RNA)
where:
Base-Base interactions energy: -98.854
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.025
local terms energy: -67.234695
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -91.354064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.354064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.354064 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -37.037
Base-Backbone interact. energy: -0.005
local terms energy: -53.612823
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -110.674687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.674687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.674687 (E_RNA)
where:
Base-Base interactions energy: -64.640
where: short stacking energy: -32.710
Base-Backbone interact. energy: -1.289
local terms energy: -44.746290
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -86.921052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.921052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.921052 (E_RNA)
where:
Base-Base interactions energy: -22.229
where: short stacking energy: -17.690
Base-Backbone interact. energy: -0.099
local terms energy: -64.592532
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -78.760510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.760510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.760510 (E_RNA)
where:
Base-Base interactions energy: -30.592
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.126
local terms energy: -48.042059
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -228.176534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.176534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.176534 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -71.961
Base-Backbone interact. energy: -0.232
local terms energy: -79.944987
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -206.109215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.109215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.109215 (E_RNA)
where:
Base-Base interactions energy: -155.263
where: short stacking energy: -53.841
Base-Backbone interact. energy: 1.934
local terms energy: -52.779549
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -220.057526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.057526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.057526 (E_RNA)
where:
Base-Base interactions energy: -144.114
where: short stacking energy: -73.651
Base-Backbone interact. energy: -0.004
local terms energy: -75.939633
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -189.502729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.502729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.502729 (E_RNA)
where:
Base-Base interactions energy: -131.355
where: short stacking energy: -57.069
Base-Backbone interact. energy: -0.005
local terms energy: -58.142651
where:
bonds (distance) C4'-P energy: -7.381
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -6.501
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: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -146.118823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.118823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.118823 (E_RNA)
where:
Base-Base interactions energy: -88.447
where: short stacking energy: -38.451
Base-Backbone interact. energy: 0.041
local terms energy: -57.712874
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -158.129488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.129488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.129488 (E_RNA)
where:
Base-Base interactions energy: -95.641
where: short stacking energy: -51.771
Base-Backbone interact. energy: -0.032
local terms energy: -62.456337
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -12.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -126.990955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.990955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.990955 (E_RNA)
where:
Base-Base interactions energy: -74.786
where: short stacking energy: -39.708
Base-Backbone interact. energy: -1.078
local terms energy: -51.127030
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -7.982
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -100.144861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.144861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.144861 (E_RNA)
where:
Base-Base interactions energy: -51.594
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.130
local terms energy: -48.420701
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -83.248715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.248715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.248715 (E_RNA)
where:
Base-Base interactions energy: -31.316
where: short stacking energy: -32.246
Base-Backbone interact. energy: -0.998
local terms energy: -50.934370
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -76.790989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.790989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.790989 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -21.888
Base-Backbone interact. energy: 1.023
local terms energy: -43.127189
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -229.849174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.849174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.849174 (E_RNA)
where:
Base-Base interactions energy: -148.311
where: short stacking energy: -70.172
Base-Backbone interact. energy: -1.089
local terms energy: -80.448595
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -13.524
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: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -225.373363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.373363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.373363 (E_RNA)
where:
Base-Base interactions energy: -144.682
where: short stacking energy: -71.403
Base-Backbone interact. energy: -0.018
local terms energy: -80.673764
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -193.559327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.559327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.559327 (E_RNA)
where:
Base-Base interactions energy: -130.552
where: short stacking energy: -48.458
Base-Backbone interact. energy: -0.763
local terms energy: -62.244412
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -189.903452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.903452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.903452 (E_RNA)
where:
Base-Base interactions energy: -126.906
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.097
local terms energy: -62.899748
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -3.973
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: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -139.489951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.489951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.489951 (E_RNA)
where:
Base-Base interactions energy: -83.053
where: short stacking energy: -40.935
Base-Backbone interact. energy: -0.616
local terms energy: -55.821062
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -4.930
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: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -115.970320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.970320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.970320 (E_RNA)
where:
Base-Base interactions energy: -66.745
where: short stacking energy: -29.744
Base-Backbone interact. energy: -0.250
local terms energy: -48.975420
where:
bonds (distance) C4'-P energy: -8.552
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.742
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: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -121.822618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.822618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.822618 (E_RNA)
where:
Base-Base interactions energy: -71.294
where: short stacking energy: -34.635
Base-Backbone interact. energy: -0.499
local terms energy: -50.029346
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -85.876948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.876948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.876948 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -30.116
Base-Backbone interact. energy: -1.012
local terms energy: -54.178231
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -81.943678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.943678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.943678 (E_RNA)
where:
Base-Base interactions energy: -30.228
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.082
local terms energy: -51.634154
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -3.670
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: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -84.130061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.130061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.130061 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.209
local terms energy: -53.332556
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.771
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: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -224.454696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.454696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.454696 (E_RNA)
where:
Base-Base interactions energy: -147.844
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.041
local terms energy: -76.569539
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -218.663090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.663090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.663090 (E_RNA)
where:
Base-Base interactions energy: -142.972
where: short stacking energy: -67.865
Base-Backbone interact. energy: -0.004
local terms energy: -75.686847
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -207.168382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.168382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.168382 (E_RNA)
where:
Base-Base interactions energy: -131.286
where: short stacking energy: -63.941
Base-Backbone interact. energy: -0.100
local terms energy: -75.782440
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -193.568884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.568884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.568884 (E_RNA)
where:
Base-Base interactions energy: -129.211
where: short stacking energy: -44.511
Base-Backbone interact. energy: -0.527
local terms energy: -63.830894
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -129.348547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.348547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.348547 (E_RNA)
where:
Base-Base interactions energy: -78.188
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.274
local terms energy: -50.886642
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -2.830
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: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -101.569967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.569967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.569967 (E_RNA)
where:
Base-Base interactions energy: -48.938
where: short stacking energy: -35.842
Base-Backbone interact. energy: -0.102
local terms energy: -52.529421
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -93.812893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.812893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.812893 (E_RNA)
where:
Base-Base interactions energy: -36.864
where: short stacking energy: -33.046
Base-Backbone interact. energy: -0.366
local terms energy: -56.583285
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -7.928
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: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -139.747636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.747636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.747636 (E_RNA)
where:
Base-Base interactions energy: -84.626
where: short stacking energy: -49.317
Base-Backbone interact. energy: -0.108
local terms energy: -55.014485
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -111.243515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.243515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.243515 (E_RNA)
where:
Base-Base interactions energy: -60.108
where: short stacking energy: -35.291
Base-Backbone interact. energy: -0.293
local terms energy: -50.842614
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -4.041
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: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -81.373471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.373471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.373471 (E_RNA)
where:
Base-Base interactions energy: -29.568
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.186
local terms energy: -51.619786
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -225.203900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.203900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.203900 (E_RNA)
where:
Base-Base interactions energy: -146.755
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.009
local terms energy: -78.439578
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -218.170520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.170520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.170520 (E_RNA)
where:
Base-Base interactions energy: -140.146
where: short stacking energy: -65.458
Base-Backbone interact. energy: -1.044
local terms energy: -76.980696
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -12.946
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: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -202.504718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504718 (E_RNA)
where:
Base-Base interactions energy: -136.600
where: short stacking energy: -64.278
Base-Backbone interact. energy: -0.560
local terms energy: -65.345360
where:
bonds (distance) C4'-P energy: -7.802
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.810
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: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -196.216275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.216275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.216275 (E_RNA)
where:
Base-Base interactions energy: -133.698
where: short stacking energy: -45.394
Base-Backbone interact. energy: -0.260
local terms energy: -62.258193
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -124.131586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.131586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.131586 (E_RNA)
where:
Base-Base interactions energy: -60.550
where: short stacking energy: -44.108
Base-Backbone interact. energy: -0.840
local terms energy: -62.741503
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -105.367275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.367275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.367275 (E_RNA)
where:
Base-Base interactions energy: -53.457
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.421
local terms energy: -51.489091
where:
bonds (distance) C4'-P energy: -7.893
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -0.770
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: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -87.471815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.471815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.471815 (E_RNA)
where:
Base-Base interactions energy: -33.611
where: short stacking energy: -31.074
Base-Backbone interact. energy: -1.097
local terms energy: -52.763028
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -99.516336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.516336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.516336 (E_RNA)
where:
Base-Base interactions energy: -51.426
where: short stacking energy: -27.703
Base-Backbone interact. energy: -0.173
local terms energy: -47.918008
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -8.218
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -136.131438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.131438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.131438 (E_RNA)
where:
Base-Base interactions energy: -88.508
where: short stacking energy: -48.139
Base-Backbone interact. energy: -0.124
local terms energy: -47.499862
where:
bonds (distance) C4'-P energy: -1.390
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -78.576023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.576023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.576023 (E_RNA)
where:
Base-Base interactions energy: -33.706
where: short stacking energy: -29.536
Base-Backbone interact. energy: -0.016
local terms energy: -44.853995
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -2.378
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -230.458617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.458617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.458617 (E_RNA)
where:
Base-Base interactions energy: -145.743
where: short stacking energy: -70.690
Base-Backbone interact. energy: -0.906
local terms energy: -83.809512
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -22.437
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: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -219.909612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.909612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.909612 (E_RNA)
where:
Base-Base interactions energy: -147.916
where: short stacking energy: -70.498
Base-Backbone interact. energy: -0.191
local terms energy: -71.802616
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -199.482031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.482031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.482031 (E_RNA)
where:
Base-Base interactions energy: -134.516
where: short stacking energy: -42.514
Base-Backbone interact. energy: 0.500
local terms energy: -65.465974
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -10.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -191.785620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.785620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.785620 (E_RNA)
where:
Base-Base interactions energy: -128.009
where: short stacking energy: -56.395
Base-Backbone interact. energy: -0.024
local terms energy: -63.753181
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -133.940531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.940531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.940531 (E_RNA)
where:
Base-Base interactions energy: -73.806
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.341
local terms energy: -59.792973
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -116.395656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.395656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.395656 (E_RNA)
where:
Base-Base interactions energy: -65.317
where: short stacking energy: -35.954
Base-Backbone interact. energy: -0.117
local terms energy: -50.962340
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -6.992
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: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -103.915400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.915400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.915400 (E_RNA)
where:
Base-Base interactions energy: -47.216
where: short stacking energy: -40.678
Base-Backbone interact. energy: -0.126
local terms energy: -56.573474
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -102.593974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.593974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.593974 (E_RNA)
where:
Base-Base interactions energy: -52.788
where: short stacking energy: -39.337
Base-Backbone interact. energy: 5.863
local terms energy: -55.669011
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -75.076097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.076097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.076097 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -24.196
Base-Backbone interact. energy: 0.539
local terms energy: -46.519839
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -85.647512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.647512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.647512 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -26.714
Base-Backbone interact. energy: 0.959
local terms energy: -56.744536
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -8.689
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -223.258826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.258826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.258826 (E_RNA)
where:
Base-Base interactions energy: -145.395
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.290
local terms energy: -77.573564
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -216.864294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.864294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.864294 (E_RNA)
where:
Base-Base interactions energy: -136.674
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.596
local terms energy: -79.593902
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -22.353
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: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -207.038469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.038469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.038469 (E_RNA)
where:
Base-Base interactions energy: -138.740
where: short stacking energy: -46.705
Base-Backbone interact. energy: -0.513
local terms energy: -67.785633
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -198.932074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.932074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.932074 (E_RNA)
where:
Base-Base interactions energy: -128.781
where: short stacking energy: -60.515
Base-Backbone interact. energy: 0.556
local terms energy: -70.707092
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -171.606282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.606282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.606282 (E_RNA)
where:
Base-Base interactions energy: -108.950
where: short stacking energy: -49.463
Base-Backbone interact. energy: -0.136
local terms energy: -62.520308
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -125.078674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.078674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.078674 (E_RNA)
where:
Base-Base interactions energy: -72.731
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.074
local terms energy: -52.273866
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -8.341
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: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -82.502201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.502201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.502201 (E_RNA)
where:
Base-Base interactions energy: -39.602
where: short stacking energy: -30.236
Base-Backbone interact. energy: 3.817
local terms energy: -46.717022
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -1.848
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: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -77.562682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.562682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.562682 (E_RNA)
where:
Base-Base interactions energy: -27.889
where: short stacking energy: -27.878
Base-Backbone interact. energy: -1.104
local terms energy: -48.569439
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -79.706699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.706699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.706699 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -32.066
Base-Backbone interact. energy: -0.131
local terms energy: -47.509722
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -1.936
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: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -74.925523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.925523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.925523 (E_RNA)
where:
Base-Base interactions energy: -24.073
where: short stacking energy: -20.910
Base-Backbone interact. energy: 1.157
local terms energy: -52.009200
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -7.802
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: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -222.838118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.838118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.838118 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -69.197
Base-Backbone interact. energy: -1.545
local terms energy: -81.601361
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -21.707
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: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -215.927851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.927851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.927851 (E_RNA)
where:
Base-Base interactions energy: -138.154
where: short stacking energy: -61.810
Base-Backbone interact. energy: -0.441
local terms energy: -77.333427
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -198.731168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.731168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.731168 (E_RNA)
where:
Base-Base interactions energy: -127.347
where: short stacking energy: -60.996
Base-Backbone interact. energy: -0.102
local terms energy: -71.281708
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -16.400
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: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -204.881941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.881941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.881941 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -47.046
Base-Backbone interact. energy: -0.231
local terms energy: -65.408534
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -11.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -158.095055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.095055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.095055 (E_RNA)
where:
Base-Base interactions energy: -92.906
where: short stacking energy: -51.520
Base-Backbone interact. energy: -0.323
local terms energy: -64.865902
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -9.550
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: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -133.862153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.862153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.862153 (E_RNA)
where:
Base-Base interactions energy: -64.849
where: short stacking energy: -49.134
Base-Backbone interact. energy: 0.724
local terms energy: -69.737439
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -83.672680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.672680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.672680 (E_RNA)
where:
Base-Base interactions energy: -41.168
where: short stacking energy: -41.168
Base-Backbone interact. energy: -0.388
local terms energy: -42.116369
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -7.568
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -96.353392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.353392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.353392 (E_RNA)
where:
Base-Base interactions energy: -39.548
where: short stacking energy: -39.548
Base-Backbone interact. energy: -0.040
local terms energy: -56.765423
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -10.447
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: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -84.069181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.069181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.069181 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -16.039
Base-Backbone interact. energy: -0.063
local terms energy: -51.222057
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -8.083
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: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -97.533222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.533222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.533222 (E_RNA)
where:
Base-Base interactions energy: -52.767
where: short stacking energy: -33.368
Base-Backbone interact. energy: 1.768
local terms energy: -46.533790
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -226.579657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.579657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.579657 (E_RNA)
where:
Base-Base interactions energy: -145.243
where: short stacking energy: -66.664
Base-Backbone interact. energy: -0.984
local terms energy: -80.353139
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -210.874765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.874765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.874765 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.039
local terms energy: -68.957777
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -199.469129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.469129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.469129 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -58.598
Base-Backbone interact. energy: 0.883
local terms energy: -63.838600
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -201.136249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.136249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.136249 (E_RNA)
where:
Base-Base interactions energy: -130.696
where: short stacking energy: -52.078
Base-Backbone interact. energy: -0.387
local terms energy: -70.052810
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -152.384694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.384694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.384694 (E_RNA)
where:
Base-Base interactions energy: -93.928
where: short stacking energy: -47.733
Base-Backbone interact. energy: -0.122
local terms energy: -58.335031
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -6.606
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -103.388580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.388580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.388580 (E_RNA)
where:
Base-Base interactions energy: -41.834
where: short stacking energy: -36.228
Base-Backbone interact. energy: -0.031
local terms energy: -61.523738
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -99.298006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.298006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.298006 (E_RNA)
where:
Base-Base interactions energy: -49.650
where: short stacking energy: -34.642
Base-Backbone interact. energy: 0.480
local terms energy: -50.128079
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -89.935081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.935081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.935081 (E_RNA)
where:
Base-Base interactions energy: -35.838
where: short stacking energy: -35.838
Base-Backbone interact. energy: 0.686
local terms energy: -54.783335
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -72.949507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.949507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.949507 (E_RNA)
where:
Base-Base interactions energy: -28.035
where: short stacking energy: -24.720
Base-Backbone interact. energy: -0.763
local terms energy: -44.150949
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -73.834729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.834729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.834729 (E_RNA)
where:
Base-Base interactions energy: -28.075
where: short stacking energy: -28.075
Base-Backbone interact. energy: 1.379
local terms energy: -47.139011
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -214.954355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.954355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.954355 (E_RNA)
where:
Base-Base interactions energy: -139.407
where: short stacking energy: -57.522
Base-Backbone interact. energy: -0.251
local terms energy: -75.296149
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -16.241
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: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -207.411450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.411450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.411450 (E_RNA)
where:
Base-Base interactions energy: -131.010
where: short stacking energy: -52.961
Base-Backbone interact. energy: 0.317
local terms energy: -76.717966
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -201.802301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.802301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.802301 (E_RNA)
where:
Base-Base interactions energy: -130.303
where: short stacking energy: -65.387
Base-Backbone interact. energy: -0.200
local terms energy: -71.299197
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -8.754
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: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -193.769817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.769817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.769817 (E_RNA)
where:
Base-Base interactions energy: -131.564
where: short stacking energy: -51.443
Base-Backbone interact. energy: -0.058
local terms energy: -62.148327
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -172.475074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.475074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.475074 (E_RNA)
where:
Base-Base interactions energy: -110.236
where: short stacking energy: -55.574
Base-Backbone interact. energy: 2.321
local terms energy: -64.560112
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -102.381991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.381991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.381991 (E_RNA)
where:
Base-Base interactions energy: -44.972
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.241
local terms energy: -57.168823
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -11.866
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: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -87.280759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.280759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.280759 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.283
local terms energy: -54.111971
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -89.452379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.452379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.452379 (E_RNA)
where:
Base-Base interactions energy: -33.212
where: short stacking energy: -33.117
Base-Backbone interact. energy: 0.704
local terms energy: -56.944780
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -78.877493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.877493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.877493 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -31.058
Base-Backbone interact. energy: -0.632
local terms energy: -42.010872
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -7.247
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -70.784333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.784333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.784333 (E_RNA)
where:
Base-Base interactions energy: -29.636
where: short stacking energy: -26.546
Base-Backbone interact. energy: -0.371
local terms energy: -40.778120
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -213.220714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.220714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.220714 (E_RNA)
where:
Base-Base interactions energy: -136.628
where: short stacking energy: -54.511
Base-Backbone interact. energy: -0.006
local terms energy: -76.586734
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -17.639
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: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -204.982941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.982941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.982941 (E_RNA)
where:
Base-Base interactions energy: -136.618
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.024
local terms energy: -68.340242
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -201.925789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.925789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.925789 (E_RNA)
where:
Base-Base interactions energy: -138.241
where: short stacking energy: -57.655
Base-Backbone interact. energy: -0.700
local terms energy: -62.984425
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -182.583054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.583054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.583054 (E_RNA)
where:
Base-Base interactions energy: -111.845
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.634
local terms energy: -70.103751
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -158.668205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.668205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.668205 (E_RNA)
where:
Base-Base interactions energy: -105.927
where: short stacking energy: -42.791
Base-Backbone interact. energy: -1.320
local terms energy: -51.421121
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -104.201367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.201367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.201367 (E_RNA)
where:
Base-Base interactions energy: -46.070
where: short stacking energy: -35.266
Base-Backbone interact. energy: -0.133
local terms energy: -57.998374
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -107.510474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.510474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.510474 (E_RNA)
where:
Base-Base interactions energy: -51.587
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.076
local terms energy: -55.846718
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -92.688629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.688629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.688629 (E_RNA)
where:
Base-Base interactions energy: -41.608
where: short stacking energy: -33.998
Base-Backbone interact. energy: -0.215
local terms energy: -50.865771
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -93.295754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.295754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.295754 (E_RNA)
where:
Base-Base interactions energy: -43.596
where: short stacking energy: -29.932
Base-Backbone interact. energy: 2.459
local terms energy: -52.158434
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -10.067
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: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -85.088846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.088846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.088846 (E_RNA)
where:
Base-Base interactions energy: -38.696
where: short stacking energy: -33.114
Base-Backbone interact. energy: -0.047
local terms energy: -46.345578
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -4.317
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: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -214.369195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.369195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.369195 (E_RNA)
where:
Base-Base interactions energy: -147.705
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.045
local terms energy: -66.619096
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -207.211695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.211695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.211695 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -62.090
Base-Backbone interact. energy: 0.466
local terms energy: -74.554242
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -220.137722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.137722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.137722 (E_RNA)
where:
Base-Base interactions energy: -151.967
where: short stacking energy: -57.365
Base-Backbone interact. energy: 0.484
local terms energy: -68.654572
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -188.872782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.872782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.872782 (E_RNA)
where:
Base-Base interactions energy: -118.664
where: short stacking energy: -60.241
Base-Backbone interact. energy: -0.031
local terms energy: -70.177643
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.856
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: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -173.488915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.488915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.488915 (E_RNA)
where:
Base-Base interactions energy: -102.291
where: short stacking energy: -46.067
Base-Backbone interact. energy: -0.294
local terms energy: -70.903773
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -118.977808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.977808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.977808 (E_RNA)
where:
Base-Base interactions energy: -65.930
where: short stacking energy: -37.605
Base-Backbone interact. energy: -0.359
local terms energy: -52.688591
where:
bonds (distance) C4'-P energy: -8.669
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -120.728725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.728725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.728725 (E_RNA)
where:
Base-Base interactions energy: -68.043
where: short stacking energy: -23.979
Base-Backbone interact. energy: 0.323
local terms energy: -53.008516
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -2.368
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: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -89.778536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.778536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.778536 (E_RNA)
where:
Base-Base interactions energy: -39.208
where: short stacking energy: -36.659
Base-Backbone interact. energy: 1.169
local terms energy: -51.739524
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -9.744
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: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -94.144291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.144291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.144291 (E_RNA)
where:
Base-Base interactions energy: -46.033
where: short stacking energy: -30.799
Base-Backbone interact. energy: -0.005
local terms energy: -48.106280
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -71.347653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.347653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.347653 (E_RNA)
where:
Base-Base interactions energy: -30.522
where: short stacking energy: -20.930
Base-Backbone interact. energy: -0.217
local terms energy: -40.608481
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: 2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -210.332903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.332903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.332903 (E_RNA)
where:
Base-Base interactions energy: -128.049
where: short stacking energy: -57.212
Base-Backbone interact. energy: -0.073
local terms energy: -82.210757
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -204.744428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744428 (E_RNA)
where:
Base-Base interactions energy: -133.717
where: short stacking energy: -65.529
Base-Backbone interact. energy: -0.155
local terms energy: -70.872378
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -211.051954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.051954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.051954 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -64.274
Base-Backbone interact. energy: -0.099
local terms energy: -81.141438
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -172.532900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.532900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.532900 (E_RNA)
where:
Base-Base interactions energy: -110.728
where: short stacking energy: -54.423
Base-Backbone interact. energy: -0.406
local terms energy: -61.399219
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -158.044723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.044723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044723 (E_RNA)
where:
Base-Base interactions energy: -95.712
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.011
local terms energy: -62.322272
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -101.757810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.757810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.757810 (E_RNA)
where:
Base-Base interactions energy: -45.804
where: short stacking energy: -45.430
Base-Backbone interact. energy: -0.010
local terms energy: -55.944246
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -89.675973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.675973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.675973 (E_RNA)
where:
Base-Base interactions energy: -44.396
where: short stacking energy: -24.518
Base-Backbone interact. energy: -0.420
local terms energy: -44.859678
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: 4.386
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: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -90.794989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.794989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.794989 (E_RNA)
where:
Base-Base interactions energy: -46.126
where: short stacking energy: -28.336
Base-Backbone interact. energy: 0.959
local terms energy: -45.627055
where:
bonds (distance) C4'-P energy: -7.655
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -84.122475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.122475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.122475 (E_RNA)
where:
Base-Base interactions energy: -25.154
where: short stacking energy: -20.499
Base-Backbone interact. energy: -0.190
local terms energy: -58.778168
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -73.133972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.133972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.133972 (E_RNA)
where:
Base-Base interactions energy: -26.761
where: short stacking energy: -14.045
Base-Backbone interact. energy: -0.406
local terms energy: -45.967010
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -2.065
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: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -214.965131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.965131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.965131 (E_RNA)
where:
Base-Base interactions energy: -139.291
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.022
local terms energy: -75.651529
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -221.042552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.042552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.042552 (E_RNA)
where:
Base-Base interactions energy: -142.711
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.001
local terms energy: -78.331131
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -199.982914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.982914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.982914 (E_RNA)
where:
Base-Base interactions energy: -124.030
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.064
local terms energy: -75.889132
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -200.216106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.216106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.216106 (E_RNA)
where:
Base-Base interactions energy: -128.883
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.058
local terms energy: -71.274555
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -152.150518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.150518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.150518 (E_RNA)
where:
Base-Base interactions energy: -88.873
where: short stacking energy: -53.845
Base-Backbone interact. energy: -0.051
local terms energy: -63.226734
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -127.068985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.068985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.068985 (E_RNA)
where:
Base-Base interactions energy: -69.201
where: short stacking energy: -27.852
Base-Backbone interact. energy: -0.248
local terms energy: -57.619852
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -97.876232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.876232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.876232 (E_RNA)
where:
Base-Base interactions energy: -41.514
where: short stacking energy: -40.924
Base-Backbone interact. energy: -0.088
local terms energy: -56.274394
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -8.146
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: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -86.003213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.003213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.003213 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -33.483
Base-Backbone interact. energy: -0.400
local terms energy: -51.373974
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -5.368
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: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -86.724106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724106 (E_RNA)
where:
Base-Base interactions energy: -38.412
where: short stacking energy: -23.324
Base-Backbone interact. energy: -0.206
local terms energy: -48.105733
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -7.357
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: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -74.985856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.985856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.985856 (E_RNA)
where:
Base-Base interactions energy: -22.849
where: short stacking energy: -22.849
Base-Backbone interact. energy: -0.181
local terms energy: -51.956115
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -5.151
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: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -215.262253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.262253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.262253 (E_RNA)
where:
Base-Base interactions energy: -139.724
where: short stacking energy: -64.352
Base-Backbone interact. energy: -0.071
local terms energy: -75.466863
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -227.380966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.380966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.380966 (E_RNA)
where:
Base-Base interactions energy: -146.249
where: short stacking energy: -71.986
Base-Backbone interact. energy: -1.185
local terms energy: -79.947386
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -191.455647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.455647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.455647 (E_RNA)
where:
Base-Base interactions energy: -114.618
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.400
local terms energy: -76.438291
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -12.118
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: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -205.639556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.639556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.639556 (E_RNA)
where:
Base-Base interactions energy: -141.078
where: short stacking energy: -65.297
Base-Backbone interact. energy: -0.015
local terms energy: -64.546371
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -164.760431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.760431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.760431 (E_RNA)
where:
Base-Base interactions energy: -97.318
where: short stacking energy: -52.306
Base-Backbone interact. energy: -0.001
local terms energy: -67.440710
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -14.836
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: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -122.713358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.713358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.713358 (E_RNA)
where:
Base-Base interactions energy: -62.445
where: short stacking energy: -40.826
Base-Backbone interact. energy: -0.649
local terms energy: -59.619634
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -154.127397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.127397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.127397 (E_RNA)
where:
Base-Base interactions energy: -87.527
where: short stacking energy: -36.555
Base-Backbone interact. energy: -1.585
local terms energy: -65.015234
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -114.739142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.739142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.739142 (E_RNA)
where:
Base-Base interactions energy: -60.289
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.233
local terms energy: -54.217050
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -79.375393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.375393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.375393 (E_RNA)
where:
Base-Base interactions energy: -32.198
where: short stacking energy: -31.306
Base-Backbone interact. energy: -0.099
local terms energy: -47.078575
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -90.696090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.696090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.696090 (E_RNA)
where:
Base-Base interactions energy: -44.057
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.197
local terms energy: -46.442690
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -214.856691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.856691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.856691 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -61.851
Base-Backbone interact. energy: -1.447
local terms energy: -74.167609
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -19.038
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -212.785575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.785575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.785575 (E_RNA)
where:
Base-Base interactions energy: -146.747
where: short stacking energy: -62.065
Base-Backbone interact. energy: -0.022
local terms energy: -66.015690
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -206.194640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.194640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.194640 (E_RNA)
where:
Base-Base interactions energy: -132.576
where: short stacking energy: -53.063
Base-Backbone interact. energy: -0.391
local terms energy: -73.228102
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -14.891
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: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -164.487797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.487797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.487797 (E_RNA)
where:
Base-Base interactions energy: -104.577
where: short stacking energy: -51.377
Base-Backbone interact. energy: -0.329
local terms energy: -59.581455
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -195.387601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.387601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.387601 (E_RNA)
where:
Base-Base interactions energy: -129.910
where: short stacking energy: -60.931
Base-Backbone interact. energy: -0.079
local terms energy: -65.398332
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -100.715940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.715940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.715940 (E_RNA)
where:
Base-Base interactions energy: -52.283
where: short stacking energy: -30.524
Base-Backbone interact. energy: -1.420
local terms energy: -47.012581
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -125.085089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.085089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.085089 (E_RNA)
where:
Base-Base interactions energy: -64.780
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.066
local terms energy: -60.238448
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -11.706
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: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -136.567080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.567080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.567080 (E_RNA)
where:
Base-Base interactions energy: -75.065
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.171
local terms energy: -61.331612
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -95.631596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.631596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.631596 (E_RNA)
where:
Base-Base interactions energy: -49.593
where: short stacking energy: -27.714
Base-Backbone interact. energy: -0.222
local terms energy: -45.816773
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -4.736
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: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -87.136318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136318 (E_RNA)
where:
Base-Base interactions energy: -40.517
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.194
local terms energy: -46.425324
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -8.112
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: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -215.853907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.853907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.853907 (E_RNA)
where:
Base-Base interactions energy: -145.034
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.019
local terms energy: -70.801287
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -21.320
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: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -223.118611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.118611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.118611 (E_RNA)
where:
Base-Base interactions energy: -144.895
where: short stacking energy: -65.854
Base-Backbone interact. energy: -0.001
local terms energy: -78.222562
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -19.042
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: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -209.827608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.827608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.827608 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.017
local terms energy: -74.596424
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -177.339814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.339814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.339814 (E_RNA)
where:
Base-Base interactions energy: -111.709
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.100
local terms energy: -65.531003
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -152.283273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.283273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.283273 (E_RNA)
where:
Base-Base interactions energy: -87.568
where: short stacking energy: -48.056
Base-Backbone interact. energy: -0.063
local terms energy: -64.652622
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -141.922276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.922276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.922276 (E_RNA)
where:
Base-Base interactions energy: -80.782
where: short stacking energy: -38.463
Base-Backbone interact. energy: -0.078
local terms energy: -61.063059
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -83.570466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.570466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.570466 (E_RNA)
where:
Base-Base interactions energy: -37.240
where: short stacking energy: -36.833
Base-Backbone interact. energy: -0.055
local terms energy: -46.276422
where:
bonds (distance) C4'-P energy: -5.827
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -83.163497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.163497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.163497 (E_RNA)
where:
Base-Base interactions energy: -29.618
where: short stacking energy: -27.100
Base-Backbone interact. energy: 0.048
local terms energy: -53.593632
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -136.914638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.914638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.914638 (E_RNA)
where:
Base-Base interactions energy: -79.776
where: short stacking energy: -37.036
Base-Backbone interact. energy: -0.576
local terms energy: -56.563037
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -7.756
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: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -76.247901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.247901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.247901 (E_RNA)
where:
Base-Base interactions energy: -27.257
where: short stacking energy: -27.257
Base-Backbone interact. energy: -0.115
local terms energy: -48.875514
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -8.702
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: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -227.914922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.914922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.914922 (E_RNA)
where:
Base-Base interactions energy: -147.152
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.645
local terms energy: -80.117564
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -211.463065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.463065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.463065 (E_RNA)
where:
Base-Base interactions energy: -140.109
where: short stacking energy: -53.354
Base-Backbone interact. energy: -0.102
local terms energy: -71.252135
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -205.531296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.531296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.531296 (E_RNA)
where:
Base-Base interactions energy: -133.506
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.545
local terms energy: -71.480624
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -191.049273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.049273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.049273 (E_RNA)
where:
Base-Base interactions energy: -117.315
where: short stacking energy: -72.720
Base-Backbone interact. energy: -0.030
local terms energy: -73.705148
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.016
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: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -164.577266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.577266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.577266 (E_RNA)
where:
Base-Base interactions energy: -104.201
where: short stacking energy: -50.679
Base-Backbone interact. energy: -0.066
local terms energy: -60.310267
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -172.639514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.639514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.639514 (E_RNA)
where:
Base-Base interactions energy: -102.884
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.032
local terms energy: -69.723398
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -91.823005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.823005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.823005 (E_RNA)
where:
Base-Base interactions energy: -32.794
where: short stacking energy: -32.794
Base-Backbone interact. energy: -0.336
local terms energy: -58.692870
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -3.750
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: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -83.499898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.499898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.499898 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -20.316
Base-Backbone interact. energy: 0.621
local terms energy: -41.919437
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: 3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -85.254046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.254046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.254046 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -22.014
Base-Backbone interact. energy: 1.469
local terms energy: -53.959458
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -117.938329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.938329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.938329 (E_RNA)
where:
Base-Base interactions energy: -69.516
where: short stacking energy: -39.393
Base-Backbone interact. energy: -0.995
local terms energy: -47.427462
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -228.416246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.416246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.416246 (E_RNA)
where:
Base-Base interactions energy: -151.433
where: short stacking energy: -69.037
Base-Backbone interact. energy: -0.025
local terms energy: -76.958391
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -203.546152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.546152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.546152 (E_RNA)
where:
Base-Base interactions energy: -141.877
where: short stacking energy: -50.021
Base-Backbone interact. energy: 2.024
local terms energy: -63.692928
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -188.465801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.465801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.465801 (E_RNA)
where:
Base-Base interactions energy: -126.443
where: short stacking energy: -46.701
Base-Backbone interact. energy: -0.133
local terms energy: -61.889877
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -176.449430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.449430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.449430 (E_RNA)
where:
Base-Base interactions energy: -106.013
where: short stacking energy: -54.736
Base-Backbone interact. energy: -0.117
local terms energy: -70.320111
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.386
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: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -164.586713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.586713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.586713 (E_RNA)
where:
Base-Base interactions energy: -107.574
where: short stacking energy: -45.266
Base-Backbone interact. energy: -0.121
local terms energy: -56.892320
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -154.006451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.006451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.006451 (E_RNA)
where:
Base-Base interactions energy: -94.880
where: short stacking energy: -44.132
Base-Backbone interact. energy: -1.842
local terms energy: -57.284397
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -97.028150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.028150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.028150 (E_RNA)
where:
Base-Base interactions energy: -40.467
where: short stacking energy: -38.379
Base-Backbone interact. energy: -0.304
local terms energy: -56.257341
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -8.101
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: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -85.404622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404622 (E_RNA)
where:
Base-Base interactions energy: -40.701
where: short stacking energy: -39.582
Base-Backbone interact. energy: -0.046
local terms energy: -44.658187
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -92.109657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.109657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.109657 (E_RNA)
where:
Base-Base interactions energy: -47.333
where: short stacking energy: -36.547
Base-Backbone interact. energy: -0.042
local terms energy: -44.735129
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -81.269404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.269404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.269404 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -24.224
Base-Backbone interact. energy: -0.078
local terms energy: -45.186248
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -0.270
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: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -223.139641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.139641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.139641 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -76.428
Base-Backbone interact. energy: -0.188
local terms energy: -76.739929
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -20.766
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: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -219.076160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.076160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.076160 (E_RNA)
where:
Base-Base interactions energy: -134.077
where: short stacking energy: -67.074
Base-Backbone interact. energy: -0.304
local terms energy: -84.695816
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -21.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -196.266901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.266901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.266901 (E_RNA)
where:
Base-Base interactions energy: -118.655
where: short stacking energy: -71.395
Base-Backbone interact. energy: -0.441
local terms energy: -77.171146
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -190.071072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.071072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.071072 (E_RNA)
where:
Base-Base interactions energy: -127.269
where: short stacking energy: -63.913
Base-Backbone interact. energy: -0.178
local terms energy: -62.623891
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -179.741230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.741230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.741230 (E_RNA)
where:
Base-Base interactions energy: -109.846
where: short stacking energy: -48.061
Base-Backbone interact. energy: -0.009
local terms energy: -69.886715
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -153.512258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.512258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.512258 (E_RNA)
where:
Base-Base interactions energy: -91.877
where: short stacking energy: -50.254
Base-Backbone interact. energy: -0.085
local terms energy: -61.550455
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -9.803
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: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -94.891299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.891299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.891299 (E_RNA)
where:
Base-Base interactions energy: -49.252
where: short stacking energy: -25.633
Base-Backbone interact. energy: -1.178
local terms energy: -44.461319
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -7.952
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -85.812099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.812099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.812099 (E_RNA)
where:
Base-Base interactions energy: -27.666
where: short stacking energy: -27.666
Base-Backbone interact. energy: -0.266
local terms energy: -57.879758
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -81.169649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.169649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.169649 (E_RNA)
where:
Base-Base interactions energy: -28.762
where: short stacking energy: -24.932
Base-Backbone interact. energy: -0.750
local terms energy: -51.657525
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -82.713495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.713495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.713495 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -19.864
Base-Backbone interact. energy: -0.084
local terms energy: -43.833489
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: 2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -220.457677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.457677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.457677 (E_RNA)
where:
Base-Base interactions energy: -146.325
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.769
local terms energy: -73.364261
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -192.860817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.860817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.860817 (E_RNA)
where:
Base-Base interactions energy: -116.113
where: short stacking energy: -64.347
Base-Backbone interact. energy: -0.347
local terms energy: -76.400668
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -220.183737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.183737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.183737 (E_RNA)
where:
Base-Base interactions energy: -143.197
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.014
local terms energy: -76.972482
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -10.748
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: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -174.334702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.334702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.334702 (E_RNA)
where:
Base-Base interactions energy: -105.021
where: short stacking energy: -48.555
Base-Backbone interact. energy: -0.163
local terms energy: -69.150703
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -9.034
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: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -198.774894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.774894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.774894 (E_RNA)
where:
Base-Base interactions energy: -127.057
where: short stacking energy: -50.689
Base-Backbone interact. energy: -0.050
local terms energy: -71.667623
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -12.345
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: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -104.643697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.643697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.643697 (E_RNA)
where:
Base-Base interactions energy: -45.697
where: short stacking energy: -45.120
Base-Backbone interact. energy: -0.609
local terms energy: -58.337771
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -140.270783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.270783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.270783 (E_RNA)
where:
Base-Base interactions energy: -85.487
where: short stacking energy: -35.282
Base-Backbone interact. energy: -0.031
local terms energy: -54.752781
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -81.213133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.213133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.213133 (E_RNA)
where:
Base-Base interactions energy: -31.861
where: short stacking energy: -26.852
Base-Backbone interact. energy: -1.551
local terms energy: -47.801797
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -82.019710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.019710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.019710 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -32.229
Base-Backbone interact. energy: -0.267
local terms energy: -50.179008
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -81.811122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.811122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.811122 (E_RNA)
where:
Base-Base interactions energy: -37.516
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.121
local terms energy: -44.173831
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -6.242
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: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -218.944699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.944699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.944699 (E_RNA)
where:
Base-Base interactions energy: -141.221
where: short stacking energy: -71.029
Base-Backbone interact. energy: -0.089
local terms energy: -77.634943
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -8.729
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: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -197.736214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.736214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.736214 (E_RNA)
where:
Base-Base interactions energy: -118.821
where: short stacking energy: -68.728
Base-Backbone interact. energy: 0.365
local terms energy: -79.280267
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -212.295613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295613 (E_RNA)
where:
Base-Base interactions energy: -136.378
where: short stacking energy: -66.142
Base-Backbone interact. energy: -0.016
local terms energy: -75.902067
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -189.128647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.128647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.128647 (E_RNA)
where:
Base-Base interactions energy: -122.679
where: short stacking energy: -53.000
Base-Backbone interact. energy: -0.300
local terms energy: -66.149639
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -16.090
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: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -200.780252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.780252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.780252 (E_RNA)
where:
Base-Base interactions energy: -136.896
where: short stacking energy: -47.897
Base-Backbone interact. energy: -0.137
local terms energy: -63.747070
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -108.907254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.907254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.907254 (E_RNA)
where:
Base-Base interactions energy: -55.300
where: short stacking energy: -34.240
Base-Backbone interact. energy: -0.135
local terms energy: -53.472291
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -90.650454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.650454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.650454 (E_RNA)
where:
Base-Base interactions energy: -38.271
where: short stacking energy: -27.731
Base-Backbone interact. energy: -1.219
local terms energy: -51.159993
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -7.844
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -95.292490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.292490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.292490 (E_RNA)
where:
Base-Base interactions energy: -42.035
where: short stacking energy: -37.661
Base-Backbone interact. energy: -0.045
local terms energy: -53.212535
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -91.913638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913638 (E_RNA)
where:
Base-Base interactions energy: -42.718
where: short stacking energy: -26.708
Base-Backbone interact. energy: 0.073
local terms energy: -49.269038
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -90.244164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.244164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.244164 (E_RNA)
where:
Base-Base interactions energy: -34.841
where: short stacking energy: -34.841
Base-Backbone interact. energy: -0.165
local terms energy: -55.237768
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -226.537294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.537294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.537294 (E_RNA)
where:
Base-Base interactions energy: -149.991
where: short stacking energy: -74.424
Base-Backbone interact. energy: -0.015
local terms energy: -76.531424
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -218.212942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.212942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.212942 (E_RNA)
where:
Base-Base interactions energy: -142.185
where: short stacking energy: -63.409
Base-Backbone interact. energy: -0.110
local terms energy: -75.918194
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -11.397
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: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -183.152852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.152852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.152852 (E_RNA)
where:
Base-Base interactions energy: -109.305
where: short stacking energy: -63.563
Base-Backbone interact. energy: -0.032
local terms energy: -73.815229
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -10.187
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: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -211.956083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.956083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.956083 (E_RNA)
where:
Base-Base interactions energy: -142.928
where: short stacking energy: -66.486
Base-Backbone interact. energy: -0.048
local terms energy: -68.979473
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -8.698
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: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -190.794360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.794360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.794360 (E_RNA)
where:
Base-Base interactions energy: -130.053
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.293
local terms energy: -60.448683
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -140.129471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.129471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.129471 (E_RNA)
where:
Base-Base interactions energy: -86.927
where: short stacking energy: -39.649
Base-Backbone interact. energy: -0.027
local terms energy: -53.175769
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -5.069
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -113.035824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.035824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.035824 (E_RNA)
where:
Base-Base interactions energy: -64.108
where: short stacking energy: -47.716
Base-Backbone interact. energy: -0.001
local terms energy: -48.925923
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -84.548586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.548586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.548586 (E_RNA)
where:
Base-Base interactions energy: -35.268
where: short stacking energy: -35.268
Base-Backbone interact. energy: -0.069
local terms energy: -49.212424
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -88.633374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.633374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.633374 (E_RNA)
where:
Base-Base interactions energy: -34.908
where: short stacking energy: -32.073
Base-Backbone interact. energy: -0.148
local terms energy: -53.577004
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -87.094010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094010 (E_RNA)
where:
Base-Base interactions energy: -35.306
where: short stacking energy: -27.644
Base-Backbone interact. energy: -0.202
local terms energy: -51.585567
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: 0.184
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: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -213.188935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.188935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.188935 (E_RNA)
where:
Base-Base interactions energy: -138.568
where: short stacking energy: -58.116
Base-Backbone interact. energy: -0.016
local terms energy: -74.605166
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -224.247321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.247321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.247321 (E_RNA)
where:
Base-Base interactions energy: -147.070
where: short stacking energy: -71.981
Base-Backbone interact. energy: -0.071
local terms energy: -77.106706
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -222.186194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.186194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.186194 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -69.777
Base-Backbone interact. energy: -1.111
local terms energy: -78.709387
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -21.242
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: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -181.194114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.194114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.194114 (E_RNA)
where:
Base-Base interactions energy: -114.273
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.004
local terms energy: -66.916611
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -6.923
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: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -174.244387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.244387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.244387 (E_RNA)
where:
Base-Base interactions energy: -118.068
where: short stacking energy: -58.009
Base-Backbone interact. energy: 0.261
local terms energy: -56.437302
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -9.143
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: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -149.930908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.930908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.930908 (E_RNA)
where:
Base-Base interactions energy: -91.396
where: short stacking energy: -50.868
Base-Backbone interact. energy: -0.019
local terms energy: -58.516212
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -114.505494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.505494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.505494 (E_RNA)
where:
Base-Base interactions energy: -48.851
where: short stacking energy: -48.851
Base-Backbone interact. energy: -0.004
local terms energy: -65.651018
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -105.262782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.262782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.262782 (E_RNA)
where:
Base-Base interactions energy: -55.976
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.909
local terms energy: -48.377828
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -76.809236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.809236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.809236 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -24.402
Base-Backbone interact. energy: -0.955
local terms energy: -45.268613
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -8.767
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -80.000478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.000478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.000478 (E_RNA)
where:
Base-Base interactions energy: -32.865
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.173
local terms energy: -46.962259
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -220.606448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.606448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.606448 (E_RNA)
where:
Base-Base interactions energy: -142.137
where: short stacking energy: -54.959
Base-Backbone interact. energy: -0.206
local terms energy: -78.263951
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -221.341149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.341149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.341149 (E_RNA)
where:
Base-Base interactions energy: -138.253
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.021
local terms energy: -83.067024
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -216.437849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.437849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.437849 (E_RNA)
where:
Base-Base interactions energy: -149.899
where: short stacking energy: -70.612
Base-Backbone interact. energy: -0.019
local terms energy: -66.519548
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -18.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -177.457924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.457924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.457924 (E_RNA)
where:
Base-Base interactions energy: -115.442
where: short stacking energy: -53.925
Base-Backbone interact. energy: -0.040
local terms energy: -61.975471
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -161.678033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.678033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.678033 (E_RNA)
where:
Base-Base interactions energy: -98.810
where: short stacking energy: -52.422
Base-Backbone interact. energy: -0.086
local terms energy: -62.782254
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -15.358
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: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -156.124770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.124770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.124770 (E_RNA)
where:
Base-Base interactions energy: -97.873
where: short stacking energy: -49.430
Base-Backbone interact. energy: 0.743
local terms energy: -58.995396
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -90.945795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.945795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.945795 (E_RNA)
where:
Base-Base interactions energy: -38.184
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.647
local terms energy: -52.115279
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -81.750882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.750882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.750882 (E_RNA)
where:
Base-Base interactions energy: -36.532
where: short stacking energy: -22.186
Base-Backbone interact. energy: -0.140
local terms energy: -45.078961
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: 0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -79.817006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.817006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.817006 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -20.467
Base-Backbone interact. energy: -0.672
local terms energy: -44.136767
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: 4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -80.421753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.421753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.421753 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -32.795
Base-Backbone interact. energy: -0.278
local terms energy: -47.348054
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -223.377033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.377033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.377033 (E_RNA)
where:
Base-Base interactions energy: -147.580
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.001
local terms energy: -75.796971
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -217.147635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.147635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.147635 (E_RNA)
where:
Base-Base interactions energy: -138.077
where: short stacking energy: -62.145
Base-Backbone interact. energy: -0.023
local terms energy: -79.048044
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.614
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: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -203.988214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.988214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.988214 (E_RNA)
where:
Base-Base interactions energy: -127.321
where: short stacking energy: -56.416
Base-Backbone interact. energy: -1.453
local terms energy: -75.214463
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -214.277548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.277548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.277548 (E_RNA)
where:
Base-Base interactions energy: -141.336
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.036
local terms energy: -72.906035
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -19.946
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: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -191.215515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.215515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.215515 (E_RNA)
where:
Base-Base interactions energy: -116.854
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.643
local terms energy: -73.718319
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -141.475987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.475987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.475987 (E_RNA)
where:
Base-Base interactions energy: -85.031
where: short stacking energy: -48.776
Base-Backbone interact. energy: 0.960
local terms energy: -57.404834
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -8.751
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -92.724472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.724472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.724472 (E_RNA)
where:
Base-Base interactions energy: -33.415
where: short stacking energy: -30.978
Base-Backbone interact. energy: -0.002
local terms energy: -59.308007
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -9.167
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: 280
Temperature: 1.250000
Total energy: -85.594335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.594335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.594335 (E_RNA)
where:
Base-Base interactions energy: -31.015
where: short stacking energy: -31.515
Base-Backbone interact. energy: -1.042
local terms energy: -53.537399
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -9.388
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: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -97.192768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.192768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.192768 (E_RNA)
where:
Base-Base interactions energy: -45.092
where: short stacking energy: -36.569
Base-Backbone interact. energy: 0.085
local terms energy: -52.185584
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -8.327
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: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -77.819844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.819844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.819844 (E_RNA)
where:
Base-Base interactions energy: -27.743
where: short stacking energy: -25.280
Base-Backbone interact. energy: -0.933
local terms energy: -49.144482
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -3.750
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: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -229.609296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.609296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.609296 (E_RNA)
where:
Base-Base interactions energy: -150.778
where: short stacking energy: -57.674
Base-Backbone interact. energy: -1.712
local terms energy: -77.119421
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -225.790910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.790910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.790910 (E_RNA)
where:
Base-Base interactions energy: -145.070
where: short stacking energy: -67.635
Base-Backbone interact. energy: -0.233
local terms energy: -80.488182
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -183.271991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.271991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.271991 (E_RNA)
where:
Base-Base interactions energy: -112.354
where: short stacking energy: -54.039
Base-Backbone interact. energy: -0.217
local terms energy: -70.700759
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -11.515
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: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -169.820791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.820791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.820791 (E_RNA)
where:
Base-Base interactions energy: -102.990
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.005
local terms energy: -66.825811
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -10.545
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: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -201.809378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.809378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.809378 (E_RNA)
where:
Base-Base interactions energy: -129.519
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.592
local terms energy: -71.698165
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -150.873525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.873525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.873525 (E_RNA)
where:
Base-Base interactions energy: -85.375
where: short stacking energy: -47.712
Base-Backbone interact. energy: -0.003
local terms energy: -65.495334
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -98.372132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.372132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.372132 (E_RNA)
where:
Base-Base interactions energy: -44.671
where: short stacking energy: -31.987
Base-Backbone interact. energy: -0.598
local terms energy: -53.102714
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -96.046873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.046873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.046873 (E_RNA)
where:
Base-Base interactions energy: -36.413
where: short stacking energy: -36.413
Base-Backbone interact. energy: -0.100
local terms energy: -59.533998
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -71.860910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.860910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.860910 (E_RNA)
where:
Base-Base interactions energy: -22.932
where: short stacking energy: -20.899
Base-Backbone interact. energy: -0.688
local terms energy: -48.241249
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: 4.070
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: 281
Temperature: 1.350000
Total energy: -72.844380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.844380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.844380 (E_RNA)
where:
Base-Base interactions energy: -24.927
where: short stacking energy: -24.927
Base-Backbone interact. energy: -0.331
local terms energy: -47.585876
where:
bonds (distance) C4'-P energy: -3.260
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -225.859264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.859264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.859264 (E_RNA)
where:
Base-Base interactions energy: -146.663
where: short stacking energy: -66.328
Base-Backbone interact. energy: -2.103
local terms energy: -77.092711
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -218.013655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.013655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.013655 (E_RNA)
where:
Base-Base interactions energy: -148.462
where: short stacking energy: -55.556
Base-Backbone interact. energy: -0.254
local terms energy: -69.297529
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -171.987188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.987188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.987188 (E_RNA)
where:
Base-Base interactions energy: -103.951
where: short stacking energy: -58.548
Base-Backbone interact. energy: -0.192
local terms energy: -67.843768
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -183.567495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.567495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.567495 (E_RNA)
where:
Base-Base interactions energy: -117.573
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.013
local terms energy: -65.981864
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -202.866959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.866959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.866959 (E_RNA)
where:
Base-Base interactions energy: -136.809
where: short stacking energy: -62.203
Base-Backbone interact. energy: -0.002
local terms energy: -66.056486
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -12.793
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: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -150.310572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.310572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.310572 (E_RNA)
where:
Base-Base interactions energy: -89.916
where: short stacking energy: -49.293
Base-Backbone interact. energy: -0.004
local terms energy: -60.390302
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.219
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: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -88.937677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.937677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.937677 (E_RNA)
where:
Base-Base interactions energy: -39.586
where: short stacking energy: -35.509
Base-Backbone interact. energy: -0.185
local terms energy: -49.165915
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -6.404
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: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -88.095268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.095268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.095268 (E_RNA)
where:
Base-Base interactions energy: -44.396
where: short stacking energy: -30.461
Base-Backbone interact. energy: -0.190
local terms energy: -43.509441
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -8.050
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -85.666679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.666679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.666679 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -31.975
Base-Backbone interact. energy: -0.109
local terms energy: -51.167194
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -6.017
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: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -90.063556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.063556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.063556 (E_RNA)
where:
Base-Base interactions energy: -46.913
where: short stacking energy: -24.703
Base-Backbone interact. energy: -1.029
local terms energy: -42.121508
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -0.472
tors. eta vs tors. theta energy: 1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -219.949699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.949699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.949699 (E_RNA)
where:
Base-Base interactions energy: -142.648
where: short stacking energy: -60.190
Base-Backbone interact. energy: -0.605
local terms energy: -76.696722
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.580
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: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -167.868180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.868180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.868180 (E_RNA)
where:
Base-Base interactions energy: -98.324
where: short stacking energy: -59.336
Base-Backbone interact. energy: 0.978
local terms energy: -70.522396
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -14.812
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: 283
Temperature: 1.000000
Total energy: -220.139133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.139133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.139133 (E_RNA)
where:
Base-Base interactions energy: -141.213
where: short stacking energy: -71.237
Base-Backbone interact. energy: -0.448
local terms energy: -78.478348
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -221.240557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.240557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.240557 (E_RNA)
where:
Base-Base interactions energy: -144.453
where: short stacking energy: -61.317
Base-Backbone interact. energy: -0.099
local terms energy: -76.688732
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -172.402670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.402670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.402670 (E_RNA)
where:
Base-Base interactions energy: -108.446
where: short stacking energy: -45.293
Base-Backbone interact. energy: 1.240
local terms energy: -65.195818
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -198.975132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.975132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.975132 (E_RNA)
where:
Base-Base interactions energy: -132.568
where: short stacking energy: -55.400
Base-Backbone interact. energy: -0.740
local terms energy: -65.667250
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -7.143
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: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -95.133335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.133335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.133335 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.072
local terms energy: -49.881458
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -85.440018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.440018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.440018 (E_RNA)
where:
Base-Base interactions energy: -28.296
where: short stacking energy: -27.481
Base-Backbone interact. energy: -0.129
local terms energy: -57.015561
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -4.177
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: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -95.858585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.858585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.858585 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -31.980
Base-Backbone interact. energy: -0.573
local terms energy: -57.579253
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -82.798644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798644 (E_RNA)
where:
Base-Base interactions energy: -32.970
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.200
local terms energy: -49.628819
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: 0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -225.666910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.666910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.666910 (E_RNA)
where:
Base-Base interactions energy: -145.266
where: short stacking energy: -72.246
Base-Backbone interact. energy: -0.051
local terms energy: -80.349554
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -22.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -169.987101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.987101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.987101 (E_RNA)
where:
Base-Base interactions energy: -103.617
where: short stacking energy: -53.568
Base-Backbone interact. energy: -0.129
local terms energy: -66.241496
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -217.024444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.024444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.024444 (E_RNA)
where:
Base-Base interactions energy: -139.902
where: short stacking energy: -68.849
Base-Backbone interact. energy: -0.082
local terms energy: -77.040495
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -212.961656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.961656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.961656 (E_RNA)
where:
Base-Base interactions energy: -139.807
where: short stacking energy: -63.728
Base-Backbone interact. energy: -1.551
local terms energy: -71.603406
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -214.753954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.753954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.753954 (E_RNA)
where:
Base-Base interactions energy: -142.692
where: short stacking energy: -74.427
Base-Backbone interact. energy: -0.002
local terms energy: -72.059665
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -165.159033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.159033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.159033 (E_RNA)
where:
Base-Base interactions energy: -107.292
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.563
local terms energy: -57.303316
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -103.387264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.387264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.387264 (E_RNA)
where:
Base-Base interactions energy: -45.833
where: short stacking energy: -45.711
Base-Backbone interact. energy: -0.033
local terms energy: -57.520645
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -83.217860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.217860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.217860 (E_RNA)
where:
Base-Base interactions energy: -35.625
where: short stacking energy: -33.302
Base-Backbone interact. energy: -0.069
local terms energy: -47.524457
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -6.585
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: 284
Temperature: 1.300000
Total energy: -76.575643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.575643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.575643 (E_RNA)
where:
Base-Base interactions energy: -32.409
where: short stacking energy: -30.312
Base-Backbone interact. energy: 0.312
local terms energy: -44.477984
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -2.595
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: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -71.455274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.455274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.455274 (E_RNA)
where:
Base-Base interactions energy: -31.845
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.719
local terms energy: -38.891252
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -6.516
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: 1.835
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: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -225.451204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.451204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.451204 (E_RNA)
where:
Base-Base interactions energy: -148.232
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.280
local terms energy: -76.939634
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -214.052498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.052498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.052498 (E_RNA)
where:
Base-Base interactions energy: -145.243
where: short stacking energy: -64.390
Base-Backbone interact. energy: -0.454
local terms energy: -68.355333
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -173.581898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.581898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.581898 (E_RNA)
where:
Base-Base interactions energy: -111.192
where: short stacking energy: -50.367
Base-Backbone interact. energy: -0.026
local terms energy: -62.364038
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -211.414495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.414495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.414495 (E_RNA)
where:
Base-Base interactions energy: -137.710
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.009
local terms energy: -73.696138
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -196.887193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.887193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.887193 (E_RNA)
where:
Base-Base interactions energy: -129.893
where: short stacking energy: -48.849
Base-Backbone interact. energy: -0.074
local terms energy: -66.919491
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -9.283
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: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -131.601309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.601309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.601309 (E_RNA)
where:
Base-Base interactions energy: -76.548
where: short stacking energy: -42.449
Base-Backbone interact. energy: -0.244
local terms energy: -54.809579
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -152.266908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.266908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.266908 (E_RNA)
where:
Base-Base interactions energy: -87.147
where: short stacking energy: -48.735
Base-Backbone interact. energy: -0.619
local terms energy: -64.500579
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -85.841973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.841973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.841973 (E_RNA)
where:
Base-Base interactions energy: -32.385
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.003
local terms energy: -53.454025
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -81.211757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.211757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.211757 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -20.993
Base-Backbone interact. energy: -0.306
local terms energy: -47.353931
where:
bonds (distance) C4'-P energy: -7.462
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -79.359935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.359935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.359935 (E_RNA)
where:
Base-Base interactions energy: -33.963
where: short stacking energy: -32.200
Base-Backbone interact. energy: -1.291
local terms energy: -44.105729
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -224.565619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.565619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.565619 (E_RNA)
where:
Base-Base interactions energy: -145.370
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.067
local terms energy: -79.129081
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -21.415
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: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -212.177857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.177857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.177857 (E_RNA)
where:
Base-Base interactions energy: -145.994
where: short stacking energy: -60.902
Base-Backbone interact. energy: 0.827
local terms energy: -67.011241
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -4.180
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: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -213.157163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.157163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.157163 (E_RNA)
where:
Base-Base interactions energy: -139.206
where: short stacking energy: -62.041
Base-Backbone interact. energy: -0.025
local terms energy: -73.926373
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -167.964947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.964947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.964947 (E_RNA)
where:
Base-Base interactions energy: -98.143
where: short stacking energy: -65.929
Base-Backbone interact. energy: -0.003
local terms energy: -69.818321
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -205.397572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.397572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.397572 (E_RNA)
where:
Base-Base interactions energy: -135.152
where: short stacking energy: -57.166
Base-Backbone interact. energy: -0.358
local terms energy: -69.887270
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -145.699860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.699860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.699860 (E_RNA)
where:
Base-Base interactions energy: -85.181
where: short stacking energy: -57.817
Base-Backbone interact. energy: -0.008
local terms energy: -60.511379
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -140.896826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.896826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.896826 (E_RNA)
where:
Base-Base interactions energy: -90.496
where: short stacking energy: -39.500
Base-Backbone interact. energy: -0.076
local terms energy: -50.323956
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -89.375224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.375224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.375224 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -25.912
Base-Backbone interact. energy: 0.113
local terms energy: -52.064471
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -7.474
flat angles P-C4'-P energy: -9.623
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: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -87.604556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.604556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.604556 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -27.876
Base-Backbone interact. energy: 0.256
local terms energy: -48.611473
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -75.984442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.984442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.984442 (E_RNA)
where:
Base-Base interactions energy: -35.910
where: short stacking energy: -25.075
Base-Backbone interact. energy: -0.200
local terms energy: -39.874488
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -7.482
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: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -228.873243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.873243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.873243 (E_RNA)
where:
Base-Base interactions energy: -149.696
where: short stacking energy: -78.756
Base-Backbone interact. energy: -0.038
local terms energy: -79.139045
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -21.663
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: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -216.394097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.394097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.394097 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.142
local terms energy: -78.187407
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -8.784
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: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -207.669551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.669551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.669551 (E_RNA)
where:
Base-Base interactions energy: -132.611
where: short stacking energy: -56.602
Base-Backbone interact. energy: -0.028
local terms energy: -75.030468
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.974
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: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -206.438442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.438442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.438442 (E_RNA)
where:
Base-Base interactions energy: -131.744
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.011
local terms energy: -74.683096
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -151.645761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.645761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.645761 (E_RNA)
where:
Base-Base interactions energy: -95.994
where: short stacking energy: -41.364
Base-Backbone interact. energy: -0.572
local terms energy: -55.080023
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -154.636385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.636385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.636385 (E_RNA)
where:
Base-Base interactions energy: -102.055
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.355
local terms energy: -52.226185
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -132.144421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.144421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.144421 (E_RNA)
where:
Base-Base interactions energy: -70.523
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.014
local terms energy: -61.607650
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -8.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -80.271254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.271254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.271254 (E_RNA)
where:
Base-Base interactions energy: -29.567
where: short stacking energy: -23.190
Base-Backbone interact. energy: -0.633
local terms energy: -50.070827
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -91.814250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.814250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.814250 (E_RNA)
where:
Base-Base interactions energy: -37.355
where: short stacking energy: -33.793
Base-Backbone interact. energy: -0.892
local terms energy: -53.566649
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -80.599644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.599644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.599644 (E_RNA)
where:
Base-Base interactions energy: -27.328
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.015
local terms energy: -53.256260
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -225.238705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.238705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.238705 (E_RNA)
where:
Base-Base interactions energy: -146.003
where: short stacking energy: -73.427
Base-Backbone interact. energy: -0.022
local terms energy: -79.213789
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -219.074034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.074034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.074034 (E_RNA)
where:
Base-Base interactions energy: -143.610
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.005
local terms energy: -75.459264
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -213.749322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.749322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.749322 (E_RNA)
where:
Base-Base interactions energy: -139.202
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.015
local terms energy: -74.531683
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -199.702100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.702100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.702100 (E_RNA)
where:
Base-Base interactions energy: -131.120
where: short stacking energy: -62.349
Base-Backbone interact. energy: -0.045
local terms energy: -68.536795
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -152.128681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.128681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.128681 (E_RNA)
where:
Base-Base interactions energy: -90.853
where: short stacking energy: -50.157
Base-Backbone interact. energy: -0.017
local terms energy: -61.257888
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -4.134
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -171.983221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.983221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.983221 (E_RNA)
where:
Base-Base interactions energy: -108.633
where: short stacking energy: -50.270
Base-Backbone interact. energy: -0.173
local terms energy: -63.176654
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -12.437
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: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -101.809191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.809191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.809191 (E_RNA)
where:
Base-Base interactions energy: -42.475
where: short stacking energy: -39.003
Base-Backbone interact. energy: -0.005
local terms energy: -59.329193
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -147.978726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.978726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.978726 (E_RNA)
where:
Base-Base interactions energy: -98.782
where: short stacking energy: -46.148
Base-Backbone interact. energy: -1.254
local terms energy: -47.942966
where:
bonds (distance) C4'-P energy: -5.875
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -79.329972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.329972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.329972 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -22.573
Base-Backbone interact. energy: -0.276
local terms energy: -50.027302
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -84.130824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.130824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.130824 (E_RNA)
where:
Base-Base interactions energy: -38.963
where: short stacking energy: -28.902
Base-Backbone interact. energy: -0.079
local terms energy: -45.088779
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -226.524361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.524361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.524361 (E_RNA)
where:
Base-Base interactions energy: -150.594
where: short stacking energy: -79.047
Base-Backbone interact. energy: -0.576
local terms energy: -75.354839
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -208.954264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.954264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.954264 (E_RNA)
where:
Base-Base interactions energy: -134.167
where: short stacking energy: -61.491
Base-Backbone interact. energy: -0.038
local terms energy: -74.748608
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -217.835494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.835494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.835494 (E_RNA)
where:
Base-Base interactions energy: -146.219
where: short stacking energy: -73.110
Base-Backbone interact. energy: -0.352
local terms energy: -71.264844
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -159.195917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.195917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.195917 (E_RNA)
where:
Base-Base interactions energy: -88.855
where: short stacking energy: -52.723
Base-Backbone interact. energy: -0.115
local terms energy: -70.226009
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -198.998396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.998396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.998396 (E_RNA)
where:
Base-Base interactions energy: -131.765
where: short stacking energy: -55.035
Base-Backbone interact. energy: -0.060
local terms energy: -67.173792
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -15.339
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: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -165.278822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.278822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.278822 (E_RNA)
where:
Base-Base interactions energy: -100.910
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.125
local terms energy: -64.243398
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -5.685
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: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -95.502922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.502922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.502922 (E_RNA)
where:
Base-Base interactions energy: -41.454
where: short stacking energy: -35.256
Base-Backbone interact. energy: -0.003
local terms energy: -54.045778
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -135.375393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.375393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.375393 (E_RNA)
where:
Base-Base interactions energy: -78.530
where: short stacking energy: -40.104
Base-Backbone interact. energy: -1.329
local terms energy: -55.516764
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -74.839480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.839480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.839480 (E_RNA)
where:
Base-Base interactions energy: -27.282
where: short stacking energy: -22.794
Base-Backbone interact. energy: -0.100
local terms energy: -47.456959
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -79.365082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.365082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.365082 (E_RNA)
where:
Base-Base interactions energy: -30.498
where: short stacking energy: -26.835
Base-Backbone interact. energy: -0.313
local terms energy: -48.554508
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -218.036960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.036960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.036960 (E_RNA)
where:
Base-Base interactions energy: -138.381
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.028
local terms energy: -79.628145
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -207.669533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.669533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.669533 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -55.019
Base-Backbone interact. energy: -1.527
local terms energy: -65.284971
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -9.199
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: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -199.580503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.580503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.580503 (E_RNA)
where:
Base-Base interactions energy: -131.780
where: short stacking energy: -57.288
Base-Backbone interact. energy: -0.058
local terms energy: -67.742554
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -144.336000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.336000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.336000 (E_RNA)
where:
Base-Base interactions energy: -81.035
where: short stacking energy: -45.405
Base-Backbone interact. energy: 1.295
local terms energy: -64.596079
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -194.460954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.460954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.460954 (E_RNA)
where:
Base-Base interactions energy: -130.798
where: short stacking energy: -63.115
Base-Backbone interact. energy: -0.019
local terms energy: -63.643546
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -9.450
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: 6, replica: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -160.257649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.257649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.257649 (E_RNA)
where:
Base-Base interactions energy: -97.152
where: short stacking energy: -59.949
Base-Backbone interact. energy: -0.001
local terms energy: -63.105208
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -9.595
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: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -131.212493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.212493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.212493 (E_RNA)
where:
Base-Base interactions energy: -77.187
where: short stacking energy: -40.175
Base-Backbone interact. energy: -0.160
local terms energy: -53.865597
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.769
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: 290
Temperature: 1.250000
Total energy: -86.947022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.947022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.947022 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.126
local terms energy: -51.910240
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -77.397654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.397654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.397654 (E_RNA)
where:
Base-Base interactions energy: -39.451
where: short stacking energy: -21.403
Base-Backbone interact. energy: 0.606
local terms energy: -38.552620
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: 4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -76.966550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.966550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.966550 (E_RNA)
where:
Base-Base interactions energy: -24.771
where: short stacking energy: -23.882
Base-Backbone interact. energy: -0.101
local terms energy: -52.094312
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -2.877
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: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -220.636365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.636365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.636365 (E_RNA)
where:
Base-Base interactions energy: -150.225
where: short stacking energy: -62.215
Base-Backbone interact. energy: -1.780
local terms energy: -68.630408
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -212.018927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.018927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.018927 (E_RNA)
where:
Base-Base interactions energy: -140.413
where: short stacking energy: -52.735
Base-Backbone interact. energy: -1.229
local terms energy: -70.376489
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -194.416230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.416230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.416230 (E_RNA)
where:
Base-Base interactions energy: -128.993
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.080
local terms energy: -65.343379
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -194.567656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.567656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.567656 (E_RNA)
where:
Base-Base interactions energy: -125.148
where: short stacking energy: -55.082
Base-Backbone interact. energy: -0.084
local terms energy: -69.335944
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -150.652573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.652573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.652573 (E_RNA)
where:
Base-Base interactions energy: -90.622
where: short stacking energy: -46.581
Base-Backbone interact. energy: -0.096
local terms energy: -59.933939
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -131.934453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.934453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.934453 (E_RNA)
where:
Base-Base interactions energy: -76.108
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.359
local terms energy: -55.467566
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -141.959396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.959396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.959396 (E_RNA)
where:
Base-Base interactions energy: -88.586
where: short stacking energy: -40.069
Base-Backbone interact. energy: -0.071
local terms energy: -53.302457
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -93.218983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.218983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.218983 (E_RNA)
where:
Base-Base interactions energy: -50.582
where: short stacking energy: -22.474
Base-Backbone interact. energy: -0.377
local terms energy: -42.259930
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -84.022646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.022646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.022646 (E_RNA)
where:
Base-Base interactions energy: -32.654
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.215
local terms energy: -51.153186
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -124.134198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.134198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.134198 (E_RNA)
where:
Base-Base interactions energy: -67.443
where: short stacking energy: -42.688
Base-Backbone interact. energy: -0.113
local terms energy: -56.578415
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -212.682239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.682239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.682239 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -48.454
Base-Backbone interact. energy: -1.903
local terms energy: -74.266253
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -217.160407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.160407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.160407 (E_RNA)
where:
Base-Base interactions energy: -141.197
where: short stacking energy: -64.035
Base-Backbone interact. energy: -1.108
local terms energy: -74.855562
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -8.838
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: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -207.872068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.872068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.872068 (E_RNA)
where:
Base-Base interactions energy: -138.960
where: short stacking energy: -66.307
Base-Backbone interact. energy: -0.006
local terms energy: -68.906432
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -9.414
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: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -192.894161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.894161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.894161 (E_RNA)
where:
Base-Base interactions energy: -121.471
where: short stacking energy: -57.542
Base-Backbone interact. energy: -0.081
local terms energy: -71.341988
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -159.685425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.685425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.685425 (E_RNA)
where:
Base-Base interactions energy: -103.162
where: short stacking energy: -57.426
Base-Backbone interact. energy: 0.227
local terms energy: -56.750027
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -7.675
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: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -137.682747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.682747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.682747 (E_RNA)
where:
Base-Base interactions energy: -87.324
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.163
local terms energy: -50.196221
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -97.291567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.291567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.291567 (E_RNA)
where:
Base-Base interactions energy: -35.720
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.024
local terms energy: -61.548416
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -10.639
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: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -136.514977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.514977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.514977 (E_RNA)
where:
Base-Base interactions energy: -80.528
where: short stacking energy: -38.084
Base-Backbone interact. energy: -0.600
local terms energy: -55.386797
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -132.905279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.905279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.905279 (E_RNA)
where:
Base-Base interactions energy: -70.745
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.179
local terms energy: -61.981171
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -8.207
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: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -87.248723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248723 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -21.402
Base-Backbone interact. energy: -0.507
local terms energy: -40.333552
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -0.619
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -217.843489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.843489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.843489 (E_RNA)
where:
Base-Base interactions energy: -149.025
where: short stacking energy: -58.112
Base-Backbone interact. energy: -1.475
local terms energy: -67.344054
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -13.282
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: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -196.735678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.735678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.735678 (E_RNA)
where:
Base-Base interactions energy: -134.300
where: short stacking energy: -53.480
Base-Backbone interact. energy: -0.205
local terms energy: -62.230097
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -8.799
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: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -207.884764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.884764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.884764 (E_RNA)
where:
Base-Base interactions energy: -136.806
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.883
local terms energy: -70.196421
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -9.963
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: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -197.509230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.509230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.509230 (E_RNA)
where:
Base-Base interactions energy: -126.559
where: short stacking energy: -66.260
Base-Backbone interact. energy: -0.018
local terms energy: -70.932018
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -18.469
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: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -181.028804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.028804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.028804 (E_RNA)
where:
Base-Base interactions energy: -115.700
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.135
local terms energy: -65.193495
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -16.644
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: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -86.791581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.791581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.791581 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -30.092
Base-Backbone interact. energy: 2.005
local terms energy: -55.286380
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -135.096924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.096924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.096924 (E_RNA)
where:
Base-Base interactions energy: -78.941
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.035
local terms energy: -56.120772
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -138.888230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.888230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.888230 (E_RNA)
where:
Base-Base interactions energy: -75.288
where: short stacking energy: -41.837
Base-Backbone interact. energy: -0.030
local terms energy: -63.569942
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -108.042966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.042966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.042966 (E_RNA)
where:
Base-Base interactions energy: -58.560
where: short stacking energy: -38.194
Base-Backbone interact. energy: 1.112
local terms energy: -50.595268
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -73.666316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.666316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.666316 (E_RNA)
where:
Base-Base interactions energy: -29.195
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.117
local terms energy: -44.354921
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -218.923592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.923592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.923592 (E_RNA)
where:
Base-Base interactions energy: -146.066
where: short stacking energy: -55.473
Base-Backbone interact. energy: -0.059
local terms energy: -72.798392
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -201.131640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.131640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.131640 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -56.076
Base-Backbone interact. energy: -0.261
local terms energy: -66.696493
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -16.589
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: 294
Temperature: 1.000000
Total energy: -204.459128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.459128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.459128 (E_RNA)
where:
Base-Base interactions energy: -128.516
where: short stacking energy: -63.519
Base-Backbone interact. energy: -0.242
local terms energy: -75.700326
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -207.245535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.245535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.245535 (E_RNA)
where:
Base-Base interactions energy: -133.660
where: short stacking energy: -53.915
Base-Backbone interact. energy: -1.457
local terms energy: -72.128698
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.278
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: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -169.853163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.853163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.853163 (E_RNA)
where:
Base-Base interactions energy: -100.744
where: short stacking energy: -52.694
Base-Backbone interact. energy: -0.169
local terms energy: -68.940479
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -102.862482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.862482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.862482 (E_RNA)
where:
Base-Base interactions energy: -43.282
where: short stacking energy: -29.917
Base-Backbone interact. energy: -0.186
local terms energy: -59.394118
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -147.940875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.940875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.940875 (E_RNA)
where:
Base-Base interactions energy: -82.029
where: short stacking energy: -40.527
Base-Backbone interact. energy: -0.691
local terms energy: -65.220796
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -108.154758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.154758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.154758 (E_RNA)
where:
Base-Base interactions energy: -61.908
where: short stacking energy: -34.405
Base-Backbone interact. energy: -0.595
local terms energy: -45.652343
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -3.535
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: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -97.521144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.521144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.521144 (E_RNA)
where:
Base-Base interactions energy: -46.856
where: short stacking energy: -38.297
Base-Backbone interact. energy: -0.441
local terms energy: -50.224016
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -6.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -95.084542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.084542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.084542 (E_RNA)
where:
Base-Base interactions energy: -50.995
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.110
local terms energy: -43.979511
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: 0.174
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -224.966405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.966405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.966405 (E_RNA)
where:
Base-Base interactions energy: -147.354
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.014
local terms energy: -77.598804
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -210.821011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.821011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.821011 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -68.921
Base-Backbone interact. energy: -0.127
local terms energy: -68.873805
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -11.533
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: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -198.723761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.723761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.723761 (E_RNA)
where:
Base-Base interactions energy: -129.082
where: short stacking energy: -67.411
Base-Backbone interact. energy: -0.317
local terms energy: -69.324756
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -10.540
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: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -218.242946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.242946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242946 (E_RNA)
where:
Base-Base interactions energy: -144.422
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.447
local terms energy: -73.374180
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -163.529066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.529066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.529066 (E_RNA)
where:
Base-Base interactions energy: -97.283
where: short stacking energy: -44.312
Base-Backbone interact. energy: -0.919
local terms energy: -65.327568
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -135.362939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.362939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.362939 (E_RNA)
where:
Base-Base interactions energy: -85.015
where: short stacking energy: -42.569
Base-Backbone interact. energy: 1.083
local terms energy: -51.430260
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -104.473536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.473536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.473536 (E_RNA)
where:
Base-Base interactions energy: -40.205
where: short stacking energy: -35.236
Base-Backbone interact. energy: -0.022
local terms energy: -64.246028
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -94.590733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.590733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.590733 (E_RNA)
where:
Base-Base interactions energy: -41.245
where: short stacking energy: -24.750
Base-Backbone interact. energy: -0.564
local terms energy: -52.782321
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -90.627839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.627839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.627839 (E_RNA)
where:
Base-Base interactions energy: -51.285
where: short stacking energy: -26.533
Base-Backbone interact. energy: -0.160
local terms energy: -39.182457
where:
bonds (distance) C4'-P energy: -6.140
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: 1.491
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: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -74.803336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.803336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.803336 (E_RNA)
where:
Base-Base interactions energy: -27.618
where: short stacking energy: -18.959
Base-Backbone interact. energy: -0.152
local terms energy: -47.033312
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: 2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -218.824934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.824934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.824934 (E_RNA)
where:
Base-Base interactions energy: -150.120
where: short stacking energy: -73.710
Base-Backbone interact. energy: -0.059
local terms energy: -68.646138
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -219.877764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.877764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.877764 (E_RNA)
where:
Base-Base interactions energy: -144.021
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.027
local terms energy: -75.829732
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -16.958
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: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -216.788918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.788918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.788918 (E_RNA)
where:
Base-Base interactions energy: -146.344
where: short stacking energy: -60.185
Base-Backbone interact. energy: 0.367
local terms energy: -70.811470
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -196.237286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.237286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.237286 (E_RNA)
where:
Base-Base interactions energy: -129.354
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.008
local terms energy: -66.874871
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -145.228710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.228710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.228710 (E_RNA)
where:
Base-Base interactions energy: -87.416
where: short stacking energy: -45.418
Base-Backbone interact. energy: -0.789
local terms energy: -57.023750
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -179.417881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.417881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.417881 (E_RNA)
where:
Base-Base interactions energy: -107.347
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.015
local terms energy: -72.055410
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -127.368800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.368800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.368800 (E_RNA)
where:
Base-Base interactions energy: -71.467
where: short stacking energy: -31.896
Base-Backbone interact. energy: -0.240
local terms energy: -55.662174
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -93.208654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.208654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.208654 (E_RNA)
where:
Base-Base interactions energy: -38.476
where: short stacking energy: -38.476
Base-Backbone interact. energy: -0.002
local terms energy: -54.730727
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -7.816
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: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -95.401897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.401897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.401897 (E_RNA)
where:
Base-Base interactions energy: -50.277
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.043
local terms energy: -45.082811
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -73.277879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.277879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.277879 (E_RNA)
where:
Base-Base interactions energy: -21.522
where: short stacking energy: -16.724
Base-Backbone interact. energy: -0.091
local terms energy: -51.664974
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -214.513024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.513024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.513024 (E_RNA)
where:
Base-Base interactions energy: -138.392
where: short stacking energy: -59.610
Base-Backbone interact. energy: -0.009
local terms energy: -76.111334
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -222.260098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.260098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.260098 (E_RNA)
where:
Base-Base interactions energy: -143.242
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.380
local terms energy: -78.637688
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -218.278947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.278947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.278947 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -65.920
Base-Backbone interact. energy: -0.002
local terms energy: -74.545531
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -196.223454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.223454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.223454 (E_RNA)
where:
Base-Base interactions energy: -129.553
where: short stacking energy: -57.736
Base-Backbone interact. energy: -0.007
local terms energy: -66.662741
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -146.082786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.082786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.082786 (E_RNA)
where:
Base-Base interactions energy: -88.069
where: short stacking energy: -41.411
Base-Backbone interact. energy: -0.037
local terms energy: -57.977169
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -171.055922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.055922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.055922 (E_RNA)
where:
Base-Base interactions energy: -110.346
where: short stacking energy: -44.096
Base-Backbone interact. energy: -0.250
local terms energy: -60.460374
where:
bonds (distance) C4'-P energy: -6.757
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -12.270
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: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -153.710998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.710998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.710998 (E_RNA)
where:
Base-Base interactions energy: -91.887
where: short stacking energy: -42.893
Base-Backbone interact. energy: -0.218
local terms energy: -61.606226
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -7.749
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: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -102.592181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.592181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.592181 (E_RNA)
where:
Base-Base interactions energy: -51.449
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.054
local terms energy: -51.089114
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -77.490979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.490979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.490979 (E_RNA)
where:
Base-Base interactions energy: -39.749
where: short stacking energy: -12.768
Base-Backbone interact. energy: 2.137
local terms energy: -39.879230
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: 2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -79.203443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.203443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.203443 (E_RNA)
where:
Base-Base interactions energy: -24.500
where: short stacking energy: -24.500
Base-Backbone interact. energy: -0.117
local terms energy: -54.585991
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -224.035689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.035689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.035689 (E_RNA)
where:
Base-Base interactions energy: -152.538
where: short stacking energy: -59.740
Base-Backbone interact. energy: -1.138
local terms energy: -70.360089
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -217.184317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.184317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.184317 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.021
local terms energy: -82.705839
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -225.345657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.345657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.345657 (E_RNA)
where:
Base-Base interactions energy: -146.885
where: short stacking energy: -64.594
Base-Backbone interact. energy: 0.110
local terms energy: -78.570653
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -21.339
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: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -181.147483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.147483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.147483 (E_RNA)
where:
Base-Base interactions energy: -130.164
where: short stacking energy: -43.964
Base-Backbone interact. energy: 0.662
local terms energy: -51.645806
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -7.947
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: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -164.059288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.059288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.059288 (E_RNA)
where:
Base-Base interactions energy: -100.793
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.430
local terms energy: -62.835932
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -153.409844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.409844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.409844 (E_RNA)
where:
Base-Base interactions energy: -91.936
where: short stacking energy: -48.162
Base-Backbone interact. energy: -0.035
local terms energy: -61.439057
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -152.650412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.650412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.650412 (E_RNA)
where:
Base-Base interactions energy: -97.505
where: short stacking energy: -51.460
Base-Backbone interact. energy: -0.009
local terms energy: -55.136960
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -9.425
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -83.035234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.035234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.035234 (E_RNA)
where:
Base-Base interactions energy: -34.184
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.126
local terms energy: -48.725584
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -92.611665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.611665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.611665 (E_RNA)
where:
Base-Base interactions energy: -37.023
where: short stacking energy: -23.821
Base-Backbone interact. energy: -0.094
local terms energy: -55.494040
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -80.796547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.796547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.796547 (E_RNA)
where:
Base-Base interactions energy: -25.755
where: short stacking energy: -24.255
Base-Backbone interact. energy: -0.269
local terms energy: -54.772384
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -218.518023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.518023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.518023 (E_RNA)
where:
Base-Base interactions energy: -145.484
where: short stacking energy: -50.725
Base-Backbone interact. energy: -2.214
local terms energy: -70.819832
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -7.960
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: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -224.905206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.905206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.905206 (E_RNA)
where:
Base-Base interactions energy: -145.549
where: short stacking energy: -65.247
Base-Backbone interact. energy: -0.071
local terms energy: -79.285083
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -21.132
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: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -209.722133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.722133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.722133 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -68.927
Base-Backbone interact. energy: -0.102
local terms energy: -77.381175
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.269
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: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -181.944404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.944404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.944404 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -49.860
Base-Backbone interact. energy: -0.312
local terms energy: -70.028252
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -165.763115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.763115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.763115 (E_RNA)
where:
Base-Base interactions energy: -99.414
where: short stacking energy: -44.410
Base-Backbone interact. energy: -0.387
local terms energy: -65.962342
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -164.893387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.893387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.893387 (E_RNA)
where:
Base-Base interactions energy: -93.776
where: short stacking energy: -47.437
Base-Backbone interact. energy: -0.087
local terms energy: -71.030180
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -157.801193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.801193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.801193 (E_RNA)
where:
Base-Base interactions energy: -95.342
where: short stacking energy: -44.017
Base-Backbone interact. energy: -0.050
local terms energy: -62.409571
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -93.145328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.145328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.145328 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -39.883
Base-Backbone interact. energy: -0.041
local terms energy: -50.028906
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -5.483
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: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -88.180888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.180888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.180888 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.201
local terms energy: -50.379084
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -1.384
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: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -79.074118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.074118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.074118 (E_RNA)
where:
Base-Base interactions energy: -33.625
where: short stacking energy: -13.391
Base-Backbone interact. energy: 0.795
local terms energy: -46.244378
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: 5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -215.112972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.112972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.112972 (E_RNA)
where:
Base-Base interactions energy: -143.921
where: short stacking energy: -53.295
Base-Backbone interact. energy: -1.326
local terms energy: -69.865796
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -225.228408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.228408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.228408 (E_RNA)
where:
Base-Base interactions energy: -147.800
where: short stacking energy: -77.254
Base-Backbone interact. energy: 0.609
local terms energy: -78.037336
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -21.776
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: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -208.952459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.952459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.952459 (E_RNA)
where:
Base-Base interactions energy: -134.204
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.042
local terms energy: -74.707069
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -10.804
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: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -156.119009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.119009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.119009 (E_RNA)
where:
Base-Base interactions energy: -97.292
where: short stacking energy: -41.747
Base-Backbone interact. energy: -0.092
local terms energy: -58.734914
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -5.302
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: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -165.686625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.686625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.686625 (E_RNA)
where:
Base-Base interactions energy: -101.546
where: short stacking energy: -55.308
Base-Backbone interact. energy: -0.312
local terms energy: -63.828478
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -11.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -174.126129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.126129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.126129 (E_RNA)
where:
Base-Base interactions energy: -105.751
where: short stacking energy: -45.984
Base-Backbone interact. energy: -0.451
local terms energy: -67.923534
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -154.120751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.120751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.120751 (E_RNA)
where:
Base-Base interactions energy: -93.609
where: short stacking energy: -48.486
Base-Backbone interact. energy: -0.311
local terms energy: -60.200547
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -9.367
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: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -86.798305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798305 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.379
local terms energy: -49.228601
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -5.880
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: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -84.197030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.197030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.197030 (E_RNA)
where:
Base-Base interactions energy: -38.324
where: short stacking energy: -24.321
Base-Backbone interact. energy: 0.113
local terms energy: -45.985380
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: 0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -93.762141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.762141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.762141 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -31.586
Base-Backbone interact. energy: -0.206
local terms energy: -57.941234
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -5.228
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: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -223.554535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.554535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.554535 (E_RNA)
where:
Base-Base interactions energy: -140.658
where: short stacking energy: -68.718
Base-Backbone interact. energy: -0.127
local terms energy: -82.770030
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.904
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: 301
Temperature: 0.950000
Total energy: -221.846706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.846706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.846706 (E_RNA)
where:
Base-Base interactions energy: -143.934
where: short stacking energy: -67.478
Base-Backbone interact. energy: -0.387
local terms energy: -77.524918
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -21.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -209.489005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.489005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.489005 (E_RNA)
where:
Base-Base interactions energy: -128.596
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.540
local terms energy: -80.353274
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -20.255
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: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -184.211036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.211036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.211036 (E_RNA)
where:
Base-Base interactions energy: -120.847
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.030
local terms energy: -63.334086
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -152.027573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.027573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.027573 (E_RNA)
where:
Base-Base interactions energy: -93.633
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.097
local terms energy: -58.297464
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -162.455886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.455886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.455886 (E_RNA)
where:
Base-Base interactions energy: -95.902
where: short stacking energy: -54.829
Base-Backbone interact. energy: -0.073
local terms energy: -66.480387
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -155.911276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.911276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.911276 (E_RNA)
where:
Base-Base interactions energy: -92.520
where: short stacking energy: -50.222
Base-Backbone interact. energy: -0.003
local terms energy: -63.388162
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -15.086
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: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -104.041685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.041685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.041685 (E_RNA)
where:
Base-Base interactions energy: -45.854
where: short stacking energy: -37.960
Base-Backbone interact. energy: -0.330
local terms energy: -57.857962
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -86.991372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.991372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.991372 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -26.425
Base-Backbone interact. energy: -0.318
local terms energy: -45.798229
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -8.684
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -76.112050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.112050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.112050 (E_RNA)
where:
Base-Base interactions energy: -23.550
where: short stacking energy: -20.847
Base-Backbone interact. energy: -0.494
local terms energy: -52.067867
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -223.001565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.001565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.001565 (E_RNA)
where:
Base-Base interactions energy: -150.315
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.715
local terms energy: -71.971911
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -21.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -218.572633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.572633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.572633 (E_RNA)
where:
Base-Base interactions energy: -142.265
where: short stacking energy: -73.201
Base-Backbone interact. energy: -0.006
local terms energy: -76.301207
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -199.050213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050213 (E_RNA)
where:
Base-Base interactions energy: -126.988
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.002
local terms energy: -72.060554
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -194.694663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.694663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.694663 (E_RNA)
where:
Base-Base interactions energy: -128.009
where: short stacking energy: -61.831
Base-Backbone interact. energy: -0.012
local terms energy: -66.673621
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -10.558
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: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -143.807015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.807015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.807015 (E_RNA)
where:
Base-Base interactions energy: -90.106
where: short stacking energy: -43.040
Base-Backbone interact. energy: -1.309
local terms energy: -52.392096
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -156.909318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.909318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.909318 (E_RNA)
where:
Base-Base interactions energy: -110.386
where: short stacking energy: -38.207
Base-Backbone interact. energy: -0.334
local terms energy: -46.189427
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -159.796233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.796233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.796233 (E_RNA)
where:
Base-Base interactions energy: -95.325
where: short stacking energy: -55.021
Base-Backbone interact. energy: -0.004
local terms energy: -64.466849
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -13.163
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: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -101.938435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.938435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.938435 (E_RNA)
where:
Base-Base interactions energy: -58.301
where: short stacking energy: -27.321
Base-Backbone interact. energy: -0.262
local terms energy: -43.376277
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -5.782
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: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -78.753133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.753133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.753133 (E_RNA)
where:
Base-Base interactions energy: -30.025
where: short stacking energy: -22.754
Base-Backbone interact. energy: 0.096
local terms energy: -48.823791
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -5.270
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -81.760655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.760655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.760655 (E_RNA)
where:
Base-Base interactions energy: -27.817
where: short stacking energy: -27.244
Base-Backbone interact. energy: -0.138
local terms energy: -53.805894
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -226.694011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.694011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.694011 (E_RNA)
where:
Base-Base interactions energy: -144.744
where: short stacking energy: -69.291
Base-Backbone interact. energy: -0.092
local terms energy: -81.858130
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -13.489
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: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -219.907718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.907718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.907718 (E_RNA)
where:
Base-Base interactions energy: -151.004
where: short stacking energy: -53.032
Base-Backbone interact. energy: -0.371
local terms energy: -68.532032
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -14.537
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: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -205.456137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.456137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.456137 (E_RNA)
where:
Base-Base interactions energy: -136.881
where: short stacking energy: -61.214
Base-Backbone interact. energy: -0.036
local terms energy: -68.539488
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -9.598
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: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -203.573659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.573659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.573659 (E_RNA)
where:
Base-Base interactions energy: -141.191
where: short stacking energy: -66.096
Base-Backbone interact. energy: -0.370
local terms energy: -62.012746
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -6.101
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: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -145.156717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.156717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.156717 (E_RNA)
where:
Base-Base interactions energy: -87.308
where: short stacking energy: -32.722
Base-Backbone interact. energy: -0.583
local terms energy: -57.265216
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -161.480313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.480313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.480313 (E_RNA)
where:
Base-Base interactions energy: -98.575
where: short stacking energy: -47.570
Base-Backbone interact. energy: -0.014
local terms energy: -62.891435
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -6.943
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: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -143.698682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.698682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.698682 (E_RNA)
where:
Base-Base interactions energy: -83.509
where: short stacking energy: -36.567
Base-Backbone interact. energy: -0.532
local terms energy: -59.657707
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -8.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -84.123087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.123087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.123087 (E_RNA)
where:
Base-Base interactions energy: -40.178
where: short stacking energy: -40.178
Base-Backbone interact. energy: -0.120
local terms energy: -43.825240
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -81.580686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.580686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.580686 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -29.280
Base-Backbone interact. energy: -0.296
local terms energy: -52.005478
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -82.321863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.321863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.321863 (E_RNA)
where:
Base-Base interactions energy: -30.063
where: short stacking energy: -30.163
Base-Backbone interact. energy: -0.018
local terms energy: -52.240138
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -6.531
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: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -216.087626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.087626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.087626 (E_RNA)
where:
Base-Base interactions energy: -146.223
where: short stacking energy: -51.612
Base-Backbone interact. energy: -0.103
local terms energy: -69.761197
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -218.617814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.617814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.617814 (E_RNA)
where:
Base-Base interactions energy: -145.303
where: short stacking energy: -65.692
Base-Backbone interact. energy: -1.286
local terms energy: -72.029636
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -203.804593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.804593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804593 (E_RNA)
where:
Base-Base interactions energy: -140.133
where: short stacking energy: -55.674
Base-Backbone interact. energy: 0.916
local terms energy: -64.587513
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -188.481818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.481818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.481818 (E_RNA)
where:
Base-Base interactions energy: -128.351
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.320
local terms energy: -59.810814
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -14.598
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: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -170.249133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.249133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.249133 (E_RNA)
where:
Base-Base interactions energy: -101.788
where: short stacking energy: -52.986
Base-Backbone interact. energy: -1.385
local terms energy: -67.076203
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -151.914857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.914857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.914857 (E_RNA)
where:
Base-Base interactions energy: -82.025
where: short stacking energy: -37.118
Base-Backbone interact. energy: -0.128
local terms energy: -69.761637
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -158.643450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.643450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.643450 (E_RNA)
where:
Base-Base interactions energy: -97.715
where: short stacking energy: -44.735
Base-Backbone interact. energy: -0.720
local terms energy: -60.208699
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -85.748752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.748752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.748752 (E_RNA)
where:
Base-Base interactions energy: -41.624
where: short stacking energy: -41.624
Base-Backbone interact. energy: -0.767
local terms energy: -43.357016
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -83.011707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.011707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.011707 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -32.001
Base-Backbone interact. energy: -0.202
local terms energy: -49.052215
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -7.001
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: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -74.734810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.734810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.734810 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -22.514
Base-Backbone interact. energy: -0.087
local terms energy: -43.995716
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -216.251894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.251894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.251894 (E_RNA)
where:
Base-Base interactions energy: -146.478
where: short stacking energy: -60.033
Base-Backbone interact. energy: -0.854
local terms energy: -68.919284
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -204.164853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.164853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.164853 (E_RNA)
where:
Base-Base interactions energy: -139.538
where: short stacking energy: -63.760
Base-Backbone interact. energy: -0.025
local terms energy: -64.601432
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -205.475770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.475770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.475770 (E_RNA)
where:
Base-Base interactions energy: -138.359
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.036
local terms energy: -67.081502
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -195.964341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.964341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.964341 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -58.488
Base-Backbone interact. energy: -0.145
local terms energy: -68.102910
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -146.602996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.602996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.602996 (E_RNA)
where:
Base-Base interactions energy: -83.033
where: short stacking energy: -37.707
Base-Backbone interact. energy: -0.047
local terms energy: -63.523128
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -161.390813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.390813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.390813 (E_RNA)
where:
Base-Base interactions energy: -97.060
where: short stacking energy: -43.038
Base-Backbone interact. energy: -0.396
local terms energy: -63.935509
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -12.193
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: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -139.828646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.828646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.828646 (E_RNA)
where:
Base-Base interactions energy: -84.852
where: short stacking energy: -44.677
Base-Backbone interact. energy: -0.237
local terms energy: -54.739172
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -82.528007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.528007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.528007 (E_RNA)
where:
Base-Base interactions energy: -29.344
where: short stacking energy: -19.165
Base-Backbone interact. energy: -0.690
local terms energy: -52.493441
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: 2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -73.982859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.982859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.982859 (E_RNA)
where:
Base-Base interactions energy: -27.059
where: short stacking energy: -24.332
Base-Backbone interact. energy: 0.304
local terms energy: -47.227599
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -68.020866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.020866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.020866 (E_RNA)
where:
Base-Base interactions energy: -28.351
where: short stacking energy: -22.427
Base-Backbone interact. energy: -0.152
local terms energy: -39.517295
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -231.440592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.440592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.440592 (E_RNA)
where:
Base-Base interactions energy: -146.957
where: short stacking energy: -69.104
Base-Backbone interact. energy: -0.004
local terms energy: -84.479829
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -19.185
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: 306
Temperature: 0.950000
Total energy: -217.881426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.881426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.881426 (E_RNA)
where:
Base-Base interactions energy: -139.337
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.057
local terms energy: -78.487507
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -20.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -204.343401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.343401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.343401 (E_RNA)
where:
Base-Base interactions energy: -129.848
where: short stacking energy: -59.573
Base-Backbone interact. energy: -0.140
local terms energy: -74.356109
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -193.543948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.543948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.543948 (E_RNA)
where:
Base-Base interactions energy: -125.568
where: short stacking energy: -54.328
Base-Backbone interact. energy: -0.041
local terms energy: -67.934592
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -16.891
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: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -151.585192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.585192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.585192 (E_RNA)
where:
Base-Base interactions energy: -97.242
where: short stacking energy: -43.655
Base-Backbone interact. energy: -0.182
local terms energy: -54.161603
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -6.222
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: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -159.772779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.772779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.772779 (E_RNA)
where:
Base-Base interactions energy: -89.893
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.032
local terms energy: -69.847858
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -96.047194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.047194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.047194 (E_RNA)
where:
Base-Base interactions energy: -43.263
where: short stacking energy: -42.163
Base-Backbone interact. energy: -0.257
local terms energy: -52.527237
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -150.169807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.169807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.169807 (E_RNA)
where:
Base-Base interactions energy: -95.267
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.124
local terms energy: -54.778577
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -79.740818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.740818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.740818 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -22.990
Base-Backbone interact. energy: -0.320
local terms energy: -51.912852
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -76.340623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.340623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.340623 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -29.754
Base-Backbone interact. energy: -0.330
local terms energy: -42.035216
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: 4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -226.722914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.722914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.722914 (E_RNA)
where:
Base-Base interactions energy: -148.020
where: short stacking energy: -69.330
Base-Backbone interact. energy: -0.491
local terms energy: -78.211869
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -20.164
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: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -218.992448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.992448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.992448 (E_RNA)
where:
Base-Base interactions energy: -141.972
where: short stacking energy: -51.914
Base-Backbone interact. energy: -1.667
local terms energy: -75.353079
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -209.909977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.909977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.909977 (E_RNA)
where:
Base-Base interactions energy: -134.833
where: short stacking energy: -66.927
Base-Backbone interact. energy: -0.003
local terms energy: -75.074269
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -20.143
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: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -193.495660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.495660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.495660 (E_RNA)
where:
Base-Base interactions energy: -123.647
where: short stacking energy: -58.995
Base-Backbone interact. energy: -0.334
local terms energy: -69.515008
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -18.039
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: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -161.470134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.470134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.470134 (E_RNA)
where:
Base-Base interactions energy: -97.782
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.182
local terms energy: -63.505565
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -104.491048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.491048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.491048 (E_RNA)
where:
Base-Base interactions energy: -49.739
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.017
local terms energy: -54.734844
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -140.323187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.323187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.323187 (E_RNA)
where:
Base-Base interactions energy: -79.501
where: short stacking energy: -42.048
Base-Backbone interact. energy: -0.189
local terms energy: -60.633605
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.927
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: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -148.781527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.781527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.781527 (E_RNA)
where:
Base-Base interactions energy: -96.669
where: short stacking energy: -41.511
Base-Backbone interact. energy: 0.786
local terms energy: -52.898958
where:
bonds (distance) C4'-P energy: -8.096
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -89.968580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.968580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.968580 (E_RNA)
where:
Base-Base interactions energy: -34.783
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.014
local terms energy: -55.171101
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -10.224
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: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -75.857260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.857260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.857260 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -36.059
Base-Backbone interact. energy: -0.255
local terms energy: -39.543606
where:
bonds (distance) C4'-P energy: -6.458
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -2.991
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: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -237.242496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.242496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.242496 (E_RNA)
where:
Base-Base interactions energy: -160.506
where: short stacking energy: -71.062
Base-Backbone interact. energy: -0.001
local terms energy: -76.735952
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -21.586
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: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -206.637162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.637162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.637162 (E_RNA)
where:
Base-Base interactions energy: -142.923
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.084
local terms energy: -63.630179
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -187.212258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.212258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.212258 (E_RNA)
where:
Base-Base interactions energy: -123.455
where: short stacking energy: -55.340
Base-Backbone interact. energy: -0.012
local terms energy: -63.745549
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -189.164292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.164292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.164292 (E_RNA)
where:
Base-Base interactions energy: -122.256
where: short stacking energy: -58.955
Base-Backbone interact. energy: -0.166
local terms energy: -66.742599
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -153.774145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.774145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.774145 (E_RNA)
where:
Base-Base interactions energy: -95.816
where: short stacking energy: -41.746
Base-Backbone interact. energy: -0.157
local terms energy: -57.800832
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -149.456980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.456980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.456980 (E_RNA)
where:
Base-Base interactions energy: -91.161
where: short stacking energy: -45.166
Base-Backbone interact. energy: -1.475
local terms energy: -56.820515
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -131.379772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.379772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.379772 (E_RNA)
where:
Base-Base interactions energy: -85.517
where: short stacking energy: -55.413
Base-Backbone interact. energy: -0.038
local terms energy: -45.824707
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -3.356
tors. eta vs tors. theta energy: -10.160
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: 308
Temperature: 1.250000
Total energy: -126.039379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.039379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.039379 (E_RNA)
where:
Base-Base interactions energy: -66.674
where: short stacking energy: -39.625
Base-Backbone interact. energy: 1.143
local terms energy: -60.509064
where:
bonds (distance) C4'-P energy: -6.315
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -95.210796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.210796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.210796 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -40.435
Base-Backbone interact. energy: -0.065
local terms energy: -54.711026
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -80.214777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.214777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.214777 (E_RNA)
where:
Base-Base interactions energy: -40.854
where: short stacking energy: -40.854
Base-Backbone interact. energy: -0.009
local terms energy: -39.351958
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -4.977
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -233.064681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.064681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.064681 (E_RNA)
where:
Base-Base interactions energy: -155.412
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.027
local terms energy: -77.625486
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -201.549295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.549295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.549295 (E_RNA)
where:
Base-Base interactions energy: -132.512
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.641
local terms energy: -68.396551
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -189.526979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.526979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.526979 (E_RNA)
where:
Base-Base interactions energy: -123.430
where: short stacking energy: -51.029
Base-Backbone interact. energy: -0.104
local terms energy: -65.992952
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -187.173534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.173534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.173534 (E_RNA)
where:
Base-Base interactions energy: -123.977
where: short stacking energy: -50.045
Base-Backbone interact. energy: -0.250
local terms energy: -62.946695
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -11.333
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: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -159.353411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.353411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.353411 (E_RNA)
where:
Base-Base interactions energy: -86.334
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.575
local terms energy: -72.444586
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -17.264
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: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -149.881726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.881726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.881726 (E_RNA)
where:
Base-Base interactions energy: -93.977
where: short stacking energy: -40.389
Base-Backbone interact. energy: -0.167
local terms energy: -55.737391
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -101.346924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.346924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.346924 (E_RNA)
where:
Base-Base interactions energy: -47.180
where: short stacking energy: -47.180
Base-Backbone interact. energy: -0.156
local terms energy: -54.010874
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -7.917
flat angles P-C4'-P energy: -10.210
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: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -87.566108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.566108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.566108 (E_RNA)
where:
Base-Base interactions energy: -33.146
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.111
local terms energy: -54.308395
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -115.012742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.012742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.012742 (E_RNA)
where:
Base-Base interactions energy: -69.028
where: short stacking energy: -36.606
Base-Backbone interact. energy: -0.070
local terms energy: -45.914008
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -3.356
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -88.235469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.235469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.235469 (E_RNA)
where:
Base-Base interactions energy: -37.258
where: short stacking energy: -27.230
Base-Backbone interact. energy: -0.250
local terms energy: -50.727077
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -222.719027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.719027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.719027 (E_RNA)
where:
Base-Base interactions energy: -149.545
where: short stacking energy: -62.589
Base-Backbone interact. energy: -0.161
local terms energy: -73.012808
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -219.047547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.047547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.047547 (E_RNA)
where:
Base-Base interactions energy: -143.050
where: short stacking energy: -62.158
Base-Backbone interact. energy: -0.315
local terms energy: -75.683336
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -197.632657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.632657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.632657 (E_RNA)
where:
Base-Base interactions energy: -126.516
where: short stacking energy: -52.987
Base-Backbone interact. energy: -0.147
local terms energy: -70.969483
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -12.302
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: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -208.493631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.493631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.493631 (E_RNA)
where:
Base-Base interactions energy: -136.212
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.124
local terms energy: -72.157917
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.933
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: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -164.192623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.192623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.192623 (E_RNA)
where:
Base-Base interactions energy: -101.241
where: short stacking energy: -48.149
Base-Backbone interact. energy: -0.095
local terms energy: -62.856475
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -162.044029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.044029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.044029 (E_RNA)
where:
Base-Base interactions energy: -108.045
where: short stacking energy: -49.174
Base-Backbone interact. energy: -0.025
local terms energy: -53.974267
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -95.388793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.388793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.388793 (E_RNA)
where:
Base-Base interactions energy: -38.763
where: short stacking energy: -38.763
Base-Backbone interact. energy: -0.327
local terms energy: -56.298080
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -98.297306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.297306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.297306 (E_RNA)
where:
Base-Base interactions energy: -43.020
where: short stacking energy: -21.077
Base-Backbone interact. energy: -0.510
local terms energy: -54.767155
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -82.853660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.853660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.853660 (E_RNA)
where:
Base-Base interactions energy: -32.155
where: short stacking energy: -25.408
Base-Backbone interact. energy: -0.405
local terms energy: -50.293766
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: 2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -75.751548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.751548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.751548 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -28.800
Base-Backbone interact. energy: -0.491
local terms energy: -46.200300
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -1.930
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: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -223.657355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.657355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.657355 (E_RNA)
where:
Base-Base interactions energy: -155.401
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.043
local terms energy: -68.213142
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -204.104208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.104208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.104208 (E_RNA)
where:
Base-Base interactions energy: -132.844
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.013
local terms energy: -71.247561
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -13.160
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: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -213.751787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.751787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.751787 (E_RNA)
where:
Base-Base interactions energy: -136.773
where: short stacking energy: -65.107
Base-Backbone interact. energy: -1.525
local terms energy: -75.454413
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -20.994
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: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -199.951282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.951282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.951282 (E_RNA)
where:
Base-Base interactions energy: -131.764
where: short stacking energy: -60.942
Base-Backbone interact. energy: -0.005
local terms energy: -68.182497
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -9.652
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: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -165.086155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.086155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.086155 (E_RNA)
where:
Base-Base interactions energy: -98.897
where: short stacking energy: -55.683
Base-Backbone interact. energy: -0.006
local terms energy: -66.182777
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.804
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: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -170.370259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.370259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.370259 (E_RNA)
where:
Base-Base interactions energy: -105.989
where: short stacking energy: -54.506
Base-Backbone interact. energy: -0.225
local terms energy: -64.156722
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -89.809497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809497 (E_RNA)
where:
Base-Base interactions energy: -46.995
where: short stacking energy: -18.718
Base-Backbone interact. energy: -0.082
local terms energy: -42.731588
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: 1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -81.061643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.061643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.061643 (E_RNA)
where:
Base-Base interactions energy: -40.100
where: short stacking energy: -23.484
Base-Backbone interact. energy: -0.247
local terms energy: -40.714735
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: 2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -77.601435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.601435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.601435 (E_RNA)
where:
Base-Base interactions energy: -32.519
where: short stacking energy: -32.519
Base-Backbone interact. energy: -0.824
local terms energy: -44.258361
where:
bonds (distance) C4'-P energy: -6.290
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -83.579891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579891 (E_RNA)
where:
Base-Base interactions energy: -26.475
where: short stacking energy: -24.153
Base-Backbone interact. energy: -0.003
local terms energy: -57.101891
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -4.674
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: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -206.385065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.385065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.385065 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -56.340
Base-Backbone interact. energy: -0.021
local terms energy: -71.861970
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -9.441
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: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -222.880786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.880786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.880786 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -64.456
Base-Backbone interact. energy: -1.003
local terms energy: -73.958507
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.578
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: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -213.306459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.306459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.306459 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -70.823
Base-Backbone interact. energy: -0.008
local terms energy: -72.312700
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -17.947
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: 312
Temperature: 1.050000
Total energy: -209.267031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.267031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.267031 (E_RNA)
where:
Base-Base interactions energy: -138.871
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.689
local terms energy: -69.707301
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -191.682125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.682125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.682125 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -60.813
Base-Backbone interact. energy: -0.727
local terms energy: -75.023988
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -164.020858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.020858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.020858 (E_RNA)
where:
Base-Base interactions energy: -103.385
where: short stacking energy: -40.712
Base-Backbone interact. energy: -0.215
local terms energy: -60.420123
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -105.653779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.653779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.653779 (E_RNA)
where:
Base-Base interactions energy: -48.978
where: short stacking energy: -48.978
Base-Backbone interact. energy: -0.224
local terms energy: -56.451588
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -89.478016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.478016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.478016 (E_RNA)
where:
Base-Base interactions energy: -33.096
where: short stacking energy: -24.284
Base-Backbone interact. energy: -0.073
local terms energy: -56.308896
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -3.482
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: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -78.175015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.175015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.175015 (E_RNA)
where:
Base-Base interactions energy: -26.688
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.219
local terms energy: -51.268009
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -75.274928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.274928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.274928 (E_RNA)
where:
Base-Base interactions energy: -29.316
where: short stacking energy: -26.521
Base-Backbone interact. energy: -0.232
local terms energy: -45.726766
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -206.339204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.339204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.339204 (E_RNA)
where:
Base-Base interactions energy: -137.852
where: short stacking energy: -64.592
Base-Backbone interact. energy: -0.188
local terms energy: -68.298982
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -208.154849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.154849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.154849 (E_RNA)
where:
Base-Base interactions energy: -134.303
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.698
local terms energy: -73.153647
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -16.677
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: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -211.367143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.367143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.367143 (E_RNA)
where:
Base-Base interactions energy: -150.620
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.364
local terms energy: -60.383224
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -213.677987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.677987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.677987 (E_RNA)
where:
Base-Base interactions energy: -139.202
where: short stacking energy: -70.590
Base-Backbone interact. energy: -0.001
local terms energy: -74.475213
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -7.386
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: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -156.379089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.379089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.379089 (E_RNA)
where:
Base-Base interactions energy: -98.381
where: short stacking energy: -48.199
Base-Backbone interact. energy: -0.303
local terms energy: -57.694787
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -11.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -138.252960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.252960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.252960 (E_RNA)
where:
Base-Base interactions energy: -77.530
where: short stacking energy: -41.828
Base-Backbone interact. energy: -0.510
local terms energy: -60.212393
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -96.693383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.693383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.693383 (E_RNA)
where:
Base-Base interactions energy: -51.462
where: short stacking energy: -21.081
Base-Backbone interact. energy: -0.147
local terms energy: -45.084497
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: 3.741
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: 313
Temperature: 1.250000
Total energy: -79.241719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.241719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.241719 (E_RNA)
where:
Base-Base interactions energy: -27.644
where: short stacking energy: -27.636
Base-Backbone interact. energy: -0.373
local terms energy: -51.225112
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -104.661308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.661308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.661308 (E_RNA)
where:
Base-Base interactions energy: -44.581
where: short stacking energy: -41.031
Base-Backbone interact. energy: -0.569
local terms energy: -59.510899
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -11.975
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: 313
Temperature: 1.350000
Total energy: -76.348980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.348980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.348980 (E_RNA)
where:
Base-Base interactions energy: -28.827
where: short stacking energy: -28.117
Base-Backbone interact. energy: -0.532
local terms energy: -46.989857
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -7.914
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -213.258038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258038 (E_RNA)
where:
Base-Base interactions energy: -137.671
where: short stacking energy: -63.395
Base-Backbone interact. energy: -0.237
local terms energy: -75.349667
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -216.548709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.548709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.548709 (E_RNA)
where:
Base-Base interactions energy: -140.617
where: short stacking energy: -70.262
Base-Backbone interact. energy: -0.013
local terms energy: -75.918876
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -9.972
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: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -207.979913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.979913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.979913 (E_RNA)
where:
Base-Base interactions energy: -136.224
where: short stacking energy: -65.865
Base-Backbone interact. energy: -0.014
local terms energy: -71.741651
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -6.645
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: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -211.121388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.121388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.121388 (E_RNA)
where:
Base-Base interactions energy: -140.230
where: short stacking energy: -58.552
Base-Backbone interact. energy: -0.091
local terms energy: -70.800713
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -177.756767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.756767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.756767 (E_RNA)
where:
Base-Base interactions energy: -118.805
where: short stacking energy: -50.512
Base-Backbone interact. energy: -0.922
local terms energy: -58.030078
where:
bonds (distance) C4'-P energy: -7.802
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -14.389
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: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -156.993793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.993793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.993793 (E_RNA)
where:
Base-Base interactions energy: -105.820
where: short stacking energy: -44.529
Base-Backbone interact. energy: -0.718
local terms energy: -50.456254
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -112.756436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.756436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.756436 (E_RNA)
where:
Base-Base interactions energy: -53.629
where: short stacking energy: -45.612
Base-Backbone interact. energy: -0.026
local terms energy: -59.101186
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -94.015341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.015341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.015341 (E_RNA)
where:
Base-Base interactions energy: -48.871
where: short stacking energy: -38.028
Base-Backbone interact. energy: -0.254
local terms energy: -44.891084
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -83.505242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.505242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.505242 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -29.887
Base-Backbone interact. energy: 0.776
local terms energy: -54.393565
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -74.241535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.241535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.241535 (E_RNA)
where:
Base-Base interactions energy: -29.770
where: short stacking energy: -27.833
Base-Backbone interact. energy: -0.074
local terms energy: -44.397311
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -3.264
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: 315
Temperature: 0.900000
Total energy: -210.651274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.651274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.651274 (E_RNA)
where:
Base-Base interactions energy: -134.642
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.530
local terms energy: -75.478968
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -210.611038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.611038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.611038 (E_RNA)
where:
Base-Base interactions energy: -137.542
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.020
local terms energy: -73.048501
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -16.429
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -203.961466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.961466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.961466 (E_RNA)
where:
Base-Base interactions energy: -133.100
where: short stacking energy: -53.680
Base-Backbone interact. energy: -0.228
local terms energy: -70.633609
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -18.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -205.500065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.500065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.500065 (E_RNA)
where:
Base-Base interactions energy: -137.716
where: short stacking energy: -56.297
Base-Backbone interact. energy: -0.100
local terms energy: -67.684370
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -198.297262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.297262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.297262 (E_RNA)
where:
Base-Base interactions energy: -134.706
where: short stacking energy: -59.012
Base-Backbone interact. energy: -0.055
local terms energy: -63.536127
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -99.160913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.160913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.160913 (E_RNA)
where:
Base-Base interactions energy: -38.892
where: short stacking energy: -38.892
Base-Backbone interact. energy: -0.006
local terms energy: -60.262940
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -163.524147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.524147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.524147 (E_RNA)
where:
Base-Base interactions energy: -107.834
where: short stacking energy: -54.243
Base-Backbone interact. energy: -0.461
local terms energy: -55.229473
where:
bonds (distance) C4'-P energy: -7.716
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -80.646540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.646540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.646540 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -20.004
Base-Backbone interact. energy: -0.141
local terms energy: -47.735992
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -82.060565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.060565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.060565 (E_RNA)
where:
Base-Base interactions energy: -35.859
where: short stacking energy: -27.489
Base-Backbone interact. energy: -0.291
local terms energy: -45.909904
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -4.292
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: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -99.647409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.647409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.647409 (E_RNA)
where:
Base-Base interactions energy: -43.574
where: short stacking energy: -35.696
Base-Backbone interact. energy: -0.122
local terms energy: -55.951596
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -211.307922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.307922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.307922 (E_RNA)
where:
Base-Base interactions energy: -138.187
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.065
local terms energy: -73.055330
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -209.937502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.937502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.937502 (E_RNA)
where:
Base-Base interactions energy: -142.290
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.447
local terms energy: -67.200205
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -215.041803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.041803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.041803 (E_RNA)
where:
Base-Base interactions energy: -140.856
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.016
local terms energy: -74.169822
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -207.425136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.425136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.425136 (E_RNA)
where:
Base-Base interactions energy: -139.553
where: short stacking energy: -57.985
Base-Backbone interact. energy: -0.005
local terms energy: -67.867394
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.390
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: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -200.951438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.951438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.951438 (E_RNA)
where:
Base-Base interactions energy: -133.713
where: short stacking energy: -60.181
Base-Backbone interact. energy: -0.020
local terms energy: -67.218331
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -100.784963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.784963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.784963 (E_RNA)
where:
Base-Base interactions energy: -41.998
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.240
local terms energy: -58.546869
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -168.095532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.095532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.095532 (E_RNA)
where:
Base-Base interactions energy: -100.644
where: short stacking energy: -52.158
Base-Backbone interact. energy: -0.648
local terms energy: -66.803264
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -83.877243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.877243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.877243 (E_RNA)
where:
Base-Base interactions energy: -36.818
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.179
local terms energy: -46.879787
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -94.480461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.480461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.480461 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -32.481
Base-Backbone interact. energy: -0.009
local terms energy: -56.748558
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -75.103986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.103986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.103986 (E_RNA)
where:
Base-Base interactions energy: -35.679
where: short stacking energy: -24.526
Base-Backbone interact. energy: 7.867
local terms energy: -47.292598
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -212.734030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.734030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.734030 (E_RNA)
where:
Base-Base interactions energy: -134.720
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.555
local terms energy: -77.459246
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -19.991
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: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -210.812332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.812332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.812332 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -52.256
Base-Backbone interact. energy: -0.128
local terms energy: -67.013424
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -214.561867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.561867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.561867 (E_RNA)
where:
Base-Base interactions energy: -139.801
where: short stacking energy: -69.501
Base-Backbone interact. energy: -0.239
local terms energy: -74.522331
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -10.303
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: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -211.859121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.859121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.859121 (E_RNA)
where:
Base-Base interactions energy: -134.406
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.031
local terms energy: -77.422163
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -207.701837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.701837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.701837 (E_RNA)
where:
Base-Base interactions energy: -141.883
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.593
local terms energy: -65.225924
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -9.082
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: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -157.887803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.887803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.887803 (E_RNA)
where:
Base-Base interactions energy: -88.994
where: short stacking energy: -51.299
Base-Backbone interact. energy: -0.009
local terms energy: -68.884448
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -100.975603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.975603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.975603 (E_RNA)
where:
Base-Base interactions energy: -54.349
where: short stacking energy: -34.222
Base-Backbone interact. energy: 0.423
local terms energy: -47.049546
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -87.924496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.924496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.924496 (E_RNA)
where:
Base-Base interactions energy: -39.101
where: short stacking energy: -25.731
Base-Backbone interact. energy: 1.253
local terms energy: -50.076052
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: 1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -90.652555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.652555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.652555 (E_RNA)
where:
Base-Base interactions energy: -38.686
where: short stacking energy: -33.708
Base-Backbone interact. energy: -0.130
local terms energy: -51.836770
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -82.174573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.174573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.174573 (E_RNA)
where:
Base-Base interactions energy: -27.661
where: short stacking energy: -28.261
Base-Backbone interact. energy: -0.031
local terms energy: -54.482574
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -211.896664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.896664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.896664 (E_RNA)
where:
Base-Base interactions energy: -136.744
where: short stacking energy: -61.911
Base-Backbone interact. energy: -0.025
local terms energy: -75.128055
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -218.250529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.250529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.250529 (E_RNA)
where:
Base-Base interactions energy: -147.739
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.053
local terms energy: -70.458781
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -221.250819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.250819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.250819 (E_RNA)
where:
Base-Base interactions energy: -143.589
where: short stacking energy: -58.742
Base-Backbone interact. energy: -1.227
local terms energy: -76.434692
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -215.146371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.146371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.146371 (E_RNA)
where:
Base-Base interactions energy: -135.919
where: short stacking energy: -64.406
Base-Backbone interact. energy: -0.003
local terms energy: -79.224695
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -208.067043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.067043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.067043 (E_RNA)
where:
Base-Base interactions energy: -139.273
where: short stacking energy: -54.963
Base-Backbone interact. energy: -0.996
local terms energy: -67.797998
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -175.276619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.276619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.276619 (E_RNA)
where:
Base-Base interactions energy: -108.974
where: short stacking energy: -60.845
Base-Backbone interact. energy: 0.613
local terms energy: -66.915390
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -93.066079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.066079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.066079 (E_RNA)
where:
Base-Base interactions energy: -39.286
where: short stacking energy: -37.399
Base-Backbone interact. energy: -0.249
local terms energy: -53.531008
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -75.270156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.270156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.270156 (E_RNA)
where:
Base-Base interactions energy: -34.885
where: short stacking energy: -31.739
Base-Backbone interact. energy: -1.121
local terms energy: -39.263319
where:
bonds (distance) C4'-P energy: -1.794
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -0.448
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: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -78.550358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.550358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.550358 (E_RNA)
where:
Base-Base interactions energy: -23.308
where: short stacking energy: -18.737
Base-Backbone interact. energy: -0.078
local terms energy: -55.164526
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -83.732582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.732582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.732582 (E_RNA)
where:
Base-Base interactions energy: -28.208
where: short stacking energy: -21.481
Base-Backbone interact. energy: -0.431
local terms energy: -55.093733
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -218.334524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.334524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.334524 (E_RNA)
where:
Base-Base interactions energy: -141.936
where: short stacking energy: -74.655
Base-Backbone interact. energy: -0.027
local terms energy: -76.371022
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -211.156245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.156245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.156245 (E_RNA)
where:
Base-Base interactions energy: -138.035
where: short stacking energy: -70.730
Base-Backbone interact. energy: -0.023
local terms energy: -73.097351
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -201.177248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.177248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.177248 (E_RNA)
where:
Base-Base interactions energy: -129.633
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.147
local terms energy: -71.397412
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -209.166937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.166937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.166937 (E_RNA)
where:
Base-Base interactions energy: -140.660
where: short stacking energy: -57.356
Base-Backbone interact. energy: -0.596
local terms energy: -67.911208
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -210.228916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.228916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.228916 (E_RNA)
where:
Base-Base interactions energy: -137.170
where: short stacking energy: -65.926
Base-Backbone interact. energy: -0.763
local terms energy: -72.296314
where:
bonds (distance) C4'-P energy: -6.195
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -170.489991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.489991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.489991 (E_RNA)
where:
Base-Base interactions energy: -101.182
where: short stacking energy: -57.106
Base-Backbone interact. energy: -0.012
local terms energy: -69.296276
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -16.652
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: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -91.247518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.247518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.247518 (E_RNA)
where:
Base-Base interactions energy: -35.726
where: short stacking energy: -32.979
Base-Backbone interact. energy: -0.306
local terms energy: -55.215115
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -94.481515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.481515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.481515 (E_RNA)
where:
Base-Base interactions energy: -43.419
where: short stacking energy: -29.878
Base-Backbone interact. energy: -0.250
local terms energy: -50.813044
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -7.421
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: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -79.836829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.836829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.836829 (E_RNA)
where:
Base-Base interactions energy: -29.274
where: short stacking energy: -29.474
Base-Backbone interact. energy: -1.199
local terms energy: -49.364456
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -82.958891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.958891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.958891 (E_RNA)
where:
Base-Base interactions energy: -32.867
where: short stacking energy: -32.867
Base-Backbone interact. energy: -0.158
local terms energy: -49.933523
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -6.612
flat angles P-C4'-P energy: -9.351
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: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -215.051130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.051130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.051130 (E_RNA)
where:
Base-Base interactions energy: -140.247
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.014
local terms energy: -74.790223
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -14.845
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: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -209.893434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.893434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.893434 (E_RNA)
where:
Base-Base interactions energy: -134.498
where: short stacking energy: -68.468
Base-Backbone interact. energy: -0.005
local terms energy: -75.390330
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -193.869077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.869077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.869077 (E_RNA)
where:
Base-Base interactions energy: -134.768
where: short stacking energy: -50.595
Base-Backbone interact. energy: -0.443
local terms energy: -58.658220
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -8.245
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: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -205.333660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.333660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.333660 (E_RNA)
where:
Base-Base interactions energy: -140.734
where: short stacking energy: -47.927
Base-Backbone interact. energy: -0.648
local terms energy: -63.951945
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -200.396215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.396215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.396215 (E_RNA)
where:
Base-Base interactions energy: -127.081
where: short stacking energy: -60.265
Base-Backbone interact. energy: -0.360
local terms energy: -72.955074
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -13.152
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: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -162.402983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.402983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.402983 (E_RNA)
where:
Base-Base interactions energy: -93.550
where: short stacking energy: -51.096
Base-Backbone interact. energy: -0.102
local terms energy: -68.751228
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -8.879
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: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -97.291187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.291187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.291187 (E_RNA)
where:
Base-Base interactions energy: -39.673
where: short stacking energy: -39.673
Base-Backbone interact. energy: -0.118
local terms energy: -57.499742
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -88.055426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.055426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.055426 (E_RNA)
where:
Base-Base interactions energy: -35.041
where: short stacking energy: -35.041
Base-Backbone interact. energy: 0.558
local terms energy: -53.572899
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -82.029571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.029571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.029571 (E_RNA)
where:
Base-Base interactions energy: -23.788
where: short stacking energy: -19.807
Base-Backbone interact. energy: -0.732
local terms energy: -57.509517
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -12.049
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: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -76.049899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.049899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.049899 (E_RNA)
where:
Base-Base interactions energy: -19.707
where: short stacking energy: -18.338
Base-Backbone interact. energy: -0.416
local terms energy: -55.927580
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -205.230941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.230941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.230941 (E_RNA)
where:
Base-Base interactions energy: -135.837
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.228
local terms energy: -69.165859
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -212.327816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.327816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.327816 (E_RNA)
where:
Base-Base interactions energy: -142.749
where: short stacking energy: -56.139
Base-Backbone interact. energy: -0.004
local terms energy: -69.574574
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -20.659
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: 321
Temperature: 1.000000
Total energy: -210.303494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.303494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.303494 (E_RNA)
where:
Base-Base interactions energy: -144.426
where: short stacking energy: -64.378
Base-Backbone interact. energy: -0.024
local terms energy: -65.853930
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -202.504403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504403 (E_RNA)
where:
Base-Base interactions energy: -140.231
where: short stacking energy: -65.732
Base-Backbone interact. energy: -0.078
local terms energy: -62.195656
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -203.392701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.392701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.392701 (E_RNA)
where:
Base-Base interactions energy: -139.076
where: short stacking energy: -50.671
Base-Backbone interact. energy: -0.694
local terms energy: -63.622829
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -12.093
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: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -173.129155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.129155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.129155 (E_RNA)
where:
Base-Base interactions energy: -112.694
where: short stacking energy: -56.975
Base-Backbone interact. energy: -0.110
local terms energy: -60.325930
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -100.554005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.554005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.554005 (E_RNA)
where:
Base-Base interactions energy: -43.623
where: short stacking energy: -38.667
Base-Backbone interact. energy: 1.159
local terms energy: -58.090854
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -10.768
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: 321
Temperature: 1.250000
Total energy: -89.364002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.364002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.364002 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -21.338
Base-Backbone interact. energy: -0.823
local terms energy: -50.464740
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: 2.563
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: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -75.679011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.679011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.679011 (E_RNA)
where:
Base-Base interactions energy: -35.293
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.310
local terms energy: -40.075642
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: 1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -76.406314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.406314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.406314 (E_RNA)
where:
Base-Base interactions energy: -29.762
where: short stacking energy: -26.652
Base-Backbone interact. energy: -1.036
local terms energy: -45.608387
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -8.778
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: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -217.212449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.212449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.212449 (E_RNA)
where:
Base-Base interactions energy: -148.499
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.207
local terms energy: -68.506203
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -219.991930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.991930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.991930 (E_RNA)
where:
Base-Base interactions energy: -145.405
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.702
local terms energy: -73.884601
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -12.137
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -204.908751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.908751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.908751 (E_RNA)
where:
Base-Base interactions energy: -136.476
where: short stacking energy: -48.084
Base-Backbone interact. energy: -0.146
local terms energy: -68.286878
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -219.888358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.888358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.888358 (E_RNA)
where:
Base-Base interactions energy: -153.481
where: short stacking energy: -60.279
Base-Backbone interact. energy: -0.507
local terms energy: -65.900668
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -198.771996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.771996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.771996 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -45.668
Base-Backbone interact. energy: -0.138
local terms energy: -66.270806
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -163.324186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.324186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.324186 (E_RNA)
where:
Base-Base interactions energy: -101.090
where: short stacking energy: -56.574
Base-Backbone interact. energy: -0.839
local terms energy: -61.395759
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -90.878240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.878240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.878240 (E_RNA)
where:
Base-Base interactions energy: -36.032
where: short stacking energy: -29.187
Base-Backbone interact. energy: -0.598
local terms energy: -54.247836
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -94.317582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.317582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.317582 (E_RNA)
where:
Base-Base interactions energy: -35.989
where: short stacking energy: -31.254
Base-Backbone interact. energy: -1.376
local terms energy: -56.953197
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -8.361
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: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -96.060768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.060768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.060768 (E_RNA)
where:
Base-Base interactions energy: -42.520
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.013
local terms energy: -53.527473
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -81.650352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.650352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.650352 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -28.113
Base-Backbone interact. energy: -0.086
local terms energy: -48.886434
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -223.445849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.445849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.445849 (E_RNA)
where:
Base-Base interactions energy: -146.035
where: short stacking energy: -70.725
Base-Backbone interact. energy: -0.029
local terms energy: -77.381782
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -222.691702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.691702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.691702 (E_RNA)
where:
Base-Base interactions energy: -155.736
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.043
local terms energy: -66.912083
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -205.037480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.037480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.037480 (E_RNA)
where:
Base-Base interactions energy: -140.513
where: short stacking energy: -48.697
Base-Backbone interact. energy: -0.716
local terms energy: -63.808472
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -213.006202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.006202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.006202 (E_RNA)
where:
Base-Base interactions energy: -140.084
where: short stacking energy: -64.525
Base-Backbone interact. energy: -0.126
local terms energy: -72.796342
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -197.984949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.984949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.984949 (E_RNA)
where:
Base-Base interactions energy: -130.865
where: short stacking energy: -59.729
Base-Backbone interact. energy: -0.241
local terms energy: -66.878972
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -15.093
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: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -151.071876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.071876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.071876 (E_RNA)
where:
Base-Base interactions energy: -95.509
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.116
local terms energy: -55.447376
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -91.022656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.022656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.022656 (E_RNA)
where:
Base-Base interactions energy: -37.900
where: short stacking energy: -28.253
Base-Backbone interact. energy: -0.924
local terms energy: -52.199122
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -90.073097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.073097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.073097 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -29.261
Base-Backbone interact. energy: -0.194
local terms energy: -56.784638
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -79.952495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.952495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.952495 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -31.311
Base-Backbone interact. energy: -0.106
local terms energy: -48.407285
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -79.834438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.834438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.834438 (E_RNA)
where:
Base-Base interactions energy: -36.570
where: short stacking energy: -19.254
Base-Backbone interact. energy: 3.144
local terms energy: -46.409167
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -2.515
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: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -227.525884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.525884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.525884 (E_RNA)
where:
Base-Base interactions energy: -147.218
where: short stacking energy: -76.113
Base-Backbone interact. energy: -0.045
local terms energy: -80.262681
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -205.560169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.560169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.560169 (E_RNA)
where:
Base-Base interactions energy: -140.588
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.012
local terms energy: -64.960710
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -17.039
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: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -207.622932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.622932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.622932 (E_RNA)
where:
Base-Base interactions energy: -138.175
where: short stacking energy: -48.158
Base-Backbone interact. energy: -1.204
local terms energy: -68.244719
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -13.073
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: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -203.578928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.578928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.578928 (E_RNA)
where:
Base-Base interactions energy: -143.349
where: short stacking energy: -52.881
Base-Backbone interact. energy: -0.206
local terms energy: -60.023332
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -154.970700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.970700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.970700 (E_RNA)
where:
Base-Base interactions energy: -89.929
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.491
local terms energy: -64.550417
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -13.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -187.677840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.677840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.677840 (E_RNA)
where:
Base-Base interactions energy: -123.351
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.154
local terms energy: -64.172525
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -105.161553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.161553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.161553 (E_RNA)
where:
Base-Base interactions energy: -56.630
where: short stacking energy: -29.435
Base-Backbone interact. energy: 1.105
local terms energy: -49.636204
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -81.464731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.464731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.464731 (E_RNA)
where:
Base-Base interactions energy: -30.680
where: short stacking energy: -20.824
Base-Backbone interact. energy: -0.051
local terms energy: -50.733070
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -8.189
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: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -85.891704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.891704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.891704 (E_RNA)
where:
Base-Base interactions energy: -39.895
where: short stacking energy: -39.995
Base-Backbone interact. energy: -0.186
local terms energy: -45.810480
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -7.458
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -73.130014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.130014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.130014 (E_RNA)
where:
Base-Base interactions energy: -37.774
where: short stacking energy: -18.277
Base-Backbone interact. energy: 0.758
local terms energy: -36.113701
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -5.266
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: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -223.247488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.247488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.247488 (E_RNA)
where:
Base-Base interactions energy: -145.317
where: short stacking energy: -69.571
Base-Backbone interact. energy: -0.057
local terms energy: -77.873489
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -19.766
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: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -223.513713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.513713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.513713 (E_RNA)
where:
Base-Base interactions energy: -143.511
where: short stacking energy: -71.072
Base-Backbone interact. energy: -2.054
local terms energy: -77.948434
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -23.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -206.716113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.716113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.716113 (E_RNA)
where:
Base-Base interactions energy: -129.797
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.014
local terms energy: -76.904753
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -12.982
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: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -206.684106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.684106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.684106 (E_RNA)
where:
Base-Base interactions energy: -136.674
where: short stacking energy: -57.773
Base-Backbone interact. energy: -0.152
local terms energy: -69.858159
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -160.244741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.244741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.244741 (E_RNA)
where:
Base-Base interactions energy: -89.958
where: short stacking energy: -48.407
Base-Backbone interact. energy: -0.010
local terms energy: -70.276743
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -202.883122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.883122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.883122 (E_RNA)
where:
Base-Base interactions energy: -139.133
where: short stacking energy: -53.702
Base-Backbone interact. energy: -2.034
local terms energy: -61.716145
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -102.339305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.339305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.339305 (E_RNA)
where:
Base-Base interactions energy: -46.171
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.009
local terms energy: -56.158854
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -10.104
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: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -81.710947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.710947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.710947 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -29.138
Base-Backbone interact. energy: -0.357
local terms energy: -51.937060
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -78.744327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.744327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.744327 (E_RNA)
where:
Base-Base interactions energy: -30.153
where: short stacking energy: -27.772
Base-Backbone interact. energy: -0.118
local terms energy: -48.473282
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -8.546
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -2.322
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: 325
Temperature: 1.350000
Total energy: -72.886080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.886080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.886080 (E_RNA)
where:
Base-Base interactions energy: -24.057
where: short stacking energy: -21.807
Base-Backbone interact. energy: -0.066
local terms energy: -48.763254
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -221.826211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.826211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.826211 (E_RNA)
where:
Base-Base interactions energy: -142.442
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.022
local terms energy: -79.362601
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -220.551224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.551224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.551224 (E_RNA)
where:
Base-Base interactions energy: -145.231
where: short stacking energy: -74.417
Base-Backbone interact. energy: -0.040
local terms energy: -75.279875
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -198.060982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.060982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.060982 (E_RNA)
where:
Base-Base interactions energy: -127.980
where: short stacking energy: -62.679
Base-Backbone interact. energy: -0.425
local terms energy: -69.656104
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -218.722640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.722640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.722640 (E_RNA)
where:
Base-Base interactions energy: -145.634
where: short stacking energy: -66.191
Base-Backbone interact. energy: -0.766
local terms energy: -72.322650
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -204.208645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.208645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.208645 (E_RNA)
where:
Base-Base interactions energy: -141.237
where: short stacking energy: -66.730
Base-Backbone interact. energy: -1.240
local terms energy: -61.731368
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -149.998326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.998326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.998326 (E_RNA)
where:
Base-Base interactions energy: -93.864
where: short stacking energy: -52.442
Base-Backbone interact. energy: -0.051
local terms energy: -56.083124
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -13.737
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: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -97.599258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.599258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.599258 (E_RNA)
where:
Base-Base interactions energy: -40.940
where: short stacking energy: -27.580
Base-Backbone interact. energy: -0.503
local terms energy: -56.156835
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -5.612
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: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -128.667385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.667385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.667385 (E_RNA)
where:
Base-Base interactions energy: -85.257
where: short stacking energy: -42.007
Base-Backbone interact. energy: -0.015
local terms energy: -43.394954
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -6.561
flat angles P-C4'-P energy: -2.053
tors. eta vs tors. theta energy: -7.778
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: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -82.582206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582206 (E_RNA)
where:
Base-Base interactions energy: -29.271
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.111
local terms energy: -53.200046
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -9.767
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: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -78.374851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.374851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.374851 (E_RNA)
where:
Base-Base interactions energy: -24.012
where: short stacking energy: -21.725
Base-Backbone interact. energy: -0.044
local terms energy: -54.319477
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: 1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -226.163659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.163659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.163659 (E_RNA)
where:
Base-Base interactions energy: -143.828
where: short stacking energy: -72.689
Base-Backbone interact. energy: -1.163
local terms energy: -81.172931
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -202.914893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.914893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.914893 (E_RNA)
where:
Base-Base interactions energy: -129.892
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.108
local terms energy: -72.915643
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -12.768
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: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -213.404184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.404184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.404184 (E_RNA)
where:
Base-Base interactions energy: -140.610
where: short stacking energy: -63.717
Base-Backbone interact. energy: -0.003
local terms energy: -72.791235
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -17.225
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: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -214.119271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.119271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.119271 (E_RNA)
where:
Base-Base interactions energy: -136.124
where: short stacking energy: -70.964
Base-Backbone interact. energy: -1.799
local terms energy: -76.196988
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -209.701941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.701941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.701941 (E_RNA)
where:
Base-Base interactions energy: -140.714
where: short stacking energy: -54.578
Base-Backbone interact. energy: -0.249
local terms energy: -68.738519
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -8.331
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: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -165.918804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.918804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.918804 (E_RNA)
where:
Base-Base interactions energy: -103.368
where: short stacking energy: -56.854
Base-Backbone interact. energy: -0.056
local terms energy: -62.495250
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -86.802511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.802511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.802511 (E_RNA)
where:
Base-Base interactions energy: -33.612
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.053
local terms energy: -53.137369
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -140.621724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.621724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.621724 (E_RNA)
where:
Base-Base interactions energy: -81.325
where: short stacking energy: -37.226
Base-Backbone interact. energy: -0.062
local terms energy: -59.233998
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -83.119350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.119350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.119350 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -26.231
Base-Backbone interact. energy: 0.158
local terms energy: -46.560360
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -86.540421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.540421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.540421 (E_RNA)
where:
Base-Base interactions energy: -41.638
where: short stacking energy: -14.049
Base-Backbone interact. energy: -0.799
local terms energy: -44.102995
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -212.825131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.825131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.825131 (E_RNA)
where:
Base-Base interactions energy: -133.303
where: short stacking energy: -70.581
Base-Backbone interact. energy: -0.111
local terms energy: -79.410220
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -209.148016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148016 (E_RNA)
where:
Base-Base interactions energy: -133.241
where: short stacking energy: -66.993
Base-Backbone interact. energy: -0.975
local terms energy: -74.932441
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -210.534326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.534326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.534326 (E_RNA)
where:
Base-Base interactions energy: -144.819
where: short stacking energy: -55.968
Base-Backbone interact. energy: -0.117
local terms energy: -65.597866
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -15.031
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: 328
Temperature: 1.050000
Total energy: -209.324475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.324475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.324475 (E_RNA)
where:
Base-Base interactions energy: -133.103
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.004
local terms energy: -76.217490
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -20.949
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: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -216.696894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.696894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.696894 (E_RNA)
where:
Base-Base interactions energy: -137.187
where: short stacking energy: -70.382
Base-Backbone interact. energy: -0.044
local terms energy: -79.465495
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -159.546663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.546663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.546663 (E_RNA)
where:
Base-Base interactions energy: -94.953
where: short stacking energy: -48.189
Base-Backbone interact. energy: 0.636
local terms energy: -65.229392
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -145.757095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.757095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.757095 (E_RNA)
where:
Base-Base interactions energy: -88.266
where: short stacking energy: -40.749
Base-Backbone interact. energy: -0.052
local terms energy: -57.438691
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -90.185257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.185257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.185257 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -34.874
Base-Backbone interact. energy: -0.134
local terms energy: -54.706028
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -7.002
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: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -78.796211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.796211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.796211 (E_RNA)
where:
Base-Base interactions energy: -28.451
where: short stacking energy: -24.482
Base-Backbone interact. energy: -0.058
local terms energy: -50.286706
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -11.068
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: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -74.310914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.310914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.310914 (E_RNA)
where:
Base-Base interactions energy: -26.729
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.237
local terms energy: -47.345081
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -216.906296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.906296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.906296 (E_RNA)
where:
Base-Base interactions energy: -140.521
where: short stacking energy: -66.964
Base-Backbone interact. energy: -0.026
local terms energy: -76.359228
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -217.629244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.629244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.629244 (E_RNA)
where:
Base-Base interactions energy: -144.006
where: short stacking energy: -67.622
Base-Backbone interact. energy: -0.006
local terms energy: -73.616695
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -21.929
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: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -195.481047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.481047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.481047 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.080
local terms energy: -64.915442
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -203.538312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.538312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.538312 (E_RNA)
where:
Base-Base interactions energy: -134.034
where: short stacking energy: -53.251
Base-Backbone interact. energy: -0.101
local terms energy: -69.403534
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -196.965843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.965843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.965843 (E_RNA)
where:
Base-Base interactions energy: -135.123
where: short stacking energy: -59.252
Base-Backbone interact. energy: -0.176
local terms energy: -61.666050
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -13.926
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: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -147.012071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.012071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.012071 (E_RNA)
where:
Base-Base interactions energy: -79.241
where: short stacking energy: -40.159
Base-Backbone interact. energy: 0.825
local terms energy: -68.595156
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -105.991481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.991481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.991481 (E_RNA)
where:
Base-Base interactions energy: -54.649
where: short stacking energy: -30.308
Base-Backbone interact. energy: -0.267
local terms energy: -51.075147
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -77.372391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.372391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.372391 (E_RNA)
where:
Base-Base interactions energy: -29.191
where: short stacking energy: -24.213
Base-Backbone interact. energy: -0.214
local terms energy: -47.967239
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -76.859973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.859973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.859973 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -11.989
Base-Backbone interact. energy: 1.005
local terms energy: -44.400994
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: 5.471
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: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -71.626166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.626166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.626166 (E_RNA)
where:
Base-Base interactions energy: -23.061
where: short stacking energy: -22.465
Base-Backbone interact. energy: -0.303
local terms energy: -48.262836
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: 1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -226.058012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.058012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.058012 (E_RNA)
where:
Base-Base interactions energy: -150.099
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.870
local terms energy: -75.089579
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -206.946476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.946476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.946476 (E_RNA)
where:
Base-Base interactions energy: -140.637
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.053
local terms energy: -66.256762
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -211.480729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.480729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.480729 (E_RNA)
where:
Base-Base interactions energy: -136.401
where: short stacking energy: -60.804
Base-Backbone interact. energy: -3.844
local terms energy: -71.236400
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -195.883886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.883886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.883886 (E_RNA)
where:
Base-Base interactions energy: -130.616
where: short stacking energy: -59.192
Base-Backbone interact. energy: -1.116
local terms energy: -64.152126
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -12.353
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: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -214.610888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.610888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.610888 (E_RNA)
where:
Base-Base interactions energy: -135.418
where: short stacking energy: -68.302
Base-Backbone interact. energy: -0.004
local terms energy: -79.188713
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -141.171226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.171226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.171226 (E_RNA)
where:
Base-Base interactions energy: -89.961
where: short stacking energy: -43.484
Base-Backbone interact. energy: -2.114
local terms energy: -49.096092
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -94.137652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.137652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.137652 (E_RNA)
where:
Base-Base interactions energy: -39.152
where: short stacking energy: -38.168
Base-Backbone interact. energy: -0.013
local terms energy: -54.972884
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -97.283472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.283472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.283472 (E_RNA)
where:
Base-Base interactions energy: -45.076
where: short stacking energy: -41.068
Base-Backbone interact. energy: 0.053
local terms energy: -52.260624
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -82.724711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.724711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.724711 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.128
local terms energy: -48.541226
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -2.575
tors. eta vs tors. theta energy: -2.801
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: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -74.698806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.698806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.698806 (E_RNA)
where:
Base-Base interactions energy: -20.381
where: short stacking energy: -20.319
Base-Backbone interact. energy: -0.154
local terms energy: -54.163205
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -224.555584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.555584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.555584 (E_RNA)
where:
Base-Base interactions energy: -149.340
where: short stacking energy: -55.729
Base-Backbone interact. energy: -1.121
local terms energy: -74.094351
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -211.075945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.075945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.075945 (E_RNA)
where:
Base-Base interactions energy: -138.418
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.595
local terms energy: -72.062896
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -200.690034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.690034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.690034 (E_RNA)
where:
Base-Base interactions energy: -137.088
where: short stacking energy: -63.466
Base-Backbone interact. energy: -0.367
local terms energy: -63.234194
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -212.697289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.697289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.697289 (E_RNA)
where:
Base-Base interactions energy: -137.457
where: short stacking energy: -61.192
Base-Backbone interact. energy: -0.964
local terms energy: -74.276186
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.474
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: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -196.303550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.303550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.303550 (E_RNA)
where:
Base-Base interactions energy: -131.290
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.083
local terms energy: -64.931031
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -141.236723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.236723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.236723 (E_RNA)
where:
Base-Base interactions energy: -82.090
where: short stacking energy: -49.241
Base-Backbone interact. energy: -0.088
local terms energy: -59.058137
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -98.234600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.234600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.234600 (E_RNA)
where:
Base-Base interactions energy: -44.254
where: short stacking energy: -37.058
Base-Backbone interact. energy: -0.029
local terms energy: -53.951880
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -86.254034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.254034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.254034 (E_RNA)
where:
Base-Base interactions energy: -30.934
where: short stacking energy: -30.934
Base-Backbone interact. energy: -0.165
local terms energy: -55.154989
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -12.277
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: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -90.178614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178614 (E_RNA)
where:
Base-Base interactions energy: -44.208
where: short stacking energy: -43.897
Base-Backbone interact. energy: 1.271
local terms energy: -47.241660
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -75.071649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.071649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.071649 (E_RNA)
where:
Base-Base interactions energy: -26.325
where: short stacking energy: -16.956
Base-Backbone interact. energy: -0.504
local terms energy: -48.242357
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: 3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -210.786780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.786780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.786780 (E_RNA)
where:
Base-Base interactions energy: -134.753
where: short stacking energy: -56.819
Base-Backbone interact. energy: -1.707
local terms energy: -74.326118
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -11.165
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: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -220.153755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.153755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.153755 (E_RNA)
where:
Base-Base interactions energy: -149.120
where: short stacking energy: -63.932
Base-Backbone interact. energy: 0.277
local terms energy: -71.311439
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -210.693668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.693668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.693668 (E_RNA)
where:
Base-Base interactions energy: -146.152
where: short stacking energy: -58.179
Base-Backbone interact. energy: -0.354
local terms energy: -64.187625
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -203.866330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.866330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.866330 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.071
local terms energy: -68.579242
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -196.184986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.184986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.184986 (E_RNA)
where:
Base-Base interactions energy: -124.036
where: short stacking energy: -54.965
Base-Backbone interact. energy: 0.193
local terms energy: -72.342032
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -153.782391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.782391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.782391 (E_RNA)
where:
Base-Base interactions energy: -105.273
where: short stacking energy: -53.851
Base-Backbone interact. energy: -0.082
local terms energy: -48.426916
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -7.976
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -93.624837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.624837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.624837 (E_RNA)
where:
Base-Base interactions energy: -36.758
where: short stacking energy: -36.758
Base-Backbone interact. energy: -0.030
local terms energy: -56.836665
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -9.450
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: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -88.315294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.315294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.315294 (E_RNA)
where:
Base-Base interactions energy: -36.559
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.287
local terms energy: -51.469291
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -11.030
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -10.287
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: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -72.788185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.788185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.788185 (E_RNA)
where:
Base-Base interactions energy: -27.881
where: short stacking energy: -14.418
Base-Backbone interact. energy: -1.372
local terms energy: -43.535526
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: 4.109
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: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -76.642573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.642573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.642573 (E_RNA)
where:
Base-Base interactions energy: -23.147
where: short stacking energy: -21.735
Base-Backbone interact. energy: -0.037
local terms energy: -53.458259
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -223.587586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.587586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.587586 (E_RNA)
where:
Base-Base interactions energy: -144.483
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.009
local terms energy: -79.095600
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -21.956
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: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -217.877107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.877107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.877107 (E_RNA)
where:
Base-Base interactions energy: -146.806
where: short stacking energy: -63.343
Base-Backbone interact. energy: -0.857
local terms energy: -70.214701
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -215.109801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.109801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.109801 (E_RNA)
where:
Base-Base interactions energy: -138.970
where: short stacking energy: -59.301
Base-Backbone interact. energy: -0.063
local terms energy: -76.076280
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -18.599
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: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -192.515742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.515742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.515742 (E_RNA)
where:
Base-Base interactions energy: -124.515
where: short stacking energy: -59.145
Base-Backbone interact. energy: -0.393
local terms energy: -67.607681
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -15.345
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: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -195.236283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.236283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.236283 (E_RNA)
where:
Base-Base interactions energy: -130.399
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.111
local terms energy: -64.726456
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -15.328
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: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -112.690738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.690738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.690738 (E_RNA)
where:
Base-Base interactions energy: -53.238
where: short stacking energy: -42.746
Base-Backbone interact. energy: -0.002
local terms energy: -59.450086
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -157.365365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.365365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.365365 (E_RNA)
where:
Base-Base interactions energy: -87.392
where: short stacking energy: -36.218
Base-Backbone interact. energy: -1.070
local terms energy: -68.903009
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -87.427501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.427501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.427501 (E_RNA)
where:
Base-Base interactions energy: -37.906
where: short stacking energy: -33.105
Base-Backbone interact. energy: -0.148
local terms energy: -49.372972
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -91.344502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.344502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.344502 (E_RNA)
where:
Base-Base interactions energy: -37.566
where: short stacking energy: -36.627
Base-Backbone interact. energy: -0.001
local terms energy: -53.777523
where:
bonds (distance) C4'-P energy: -7.297
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -73.561858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.561858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.561858 (E_RNA)
where:
Base-Base interactions energy: -35.642
where: short stacking energy: -18.725
Base-Backbone interact. energy: -0.246
local terms energy: -37.673887
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -222.976062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.976062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.976062 (E_RNA)
where:
Base-Base interactions energy: -150.226
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.003
local terms energy: -72.747438
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -22.365
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: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -218.808905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.808905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.808905 (E_RNA)
where:
Base-Base interactions energy: -144.105
where: short stacking energy: -65.110
Base-Backbone interact. energy: -0.021
local terms energy: -74.682639
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -9.555
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: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -200.152656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.152656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.152656 (E_RNA)
where:
Base-Base interactions energy: -129.993
where: short stacking energy: -58.526
Base-Backbone interact. energy: -0.634
local terms energy: -69.525272
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -207.347639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.347639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.347639 (E_RNA)
where:
Base-Base interactions energy: -137.133
where: short stacking energy: -64.255
Base-Backbone interact. energy: -0.342
local terms energy: -69.872804
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -172.828537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.828537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.828537 (E_RNA)
where:
Base-Base interactions energy: -114.767
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.010
local terms energy: -58.050631
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -116.497048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.497048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.497048 (E_RNA)
where:
Base-Base interactions energy: -52.297
where: short stacking energy: -46.165
Base-Backbone interact. energy: -0.051
local terms energy: -64.149509
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -154.607004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.607004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.607004 (E_RNA)
where:
Base-Base interactions energy: -105.060
where: short stacking energy: -48.080
Base-Backbone interact. energy: -0.538
local terms energy: -49.008661
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -85.146119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.146119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.146119 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -18.171
Base-Backbone interact. energy: -0.313
local terms energy: -49.867338
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -93.738446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.738446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.738446 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -19.223
Base-Backbone interact. energy: -0.247
local terms energy: -44.405230
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -0.038
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: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -90.754215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.754215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.754215 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -29.394
Base-Backbone interact. energy: -0.127
local terms energy: -55.104946
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -229.903886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.903886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.903886 (E_RNA)
where:
Base-Base interactions energy: -148.159
where: short stacking energy: -77.403
Base-Backbone interact. energy: -0.105
local terms energy: -81.639821
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -21.855
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: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -215.812028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.812028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.812028 (E_RNA)
where:
Base-Base interactions energy: -142.462
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.001
local terms energy: -73.348879
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -7.405
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: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -207.101455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.101455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.101455 (E_RNA)
where:
Base-Base interactions energy: -130.329
where: short stacking energy: -70.431
Base-Backbone interact. energy: 0.105
local terms energy: -76.877723
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -16.966
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: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -199.653175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.653175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.653175 (E_RNA)
where:
Base-Base interactions energy: -131.740
where: short stacking energy: -58.396
Base-Backbone interact. energy: -0.024
local terms energy: -67.889786
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -208.766293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.766293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.766293 (E_RNA)
where:
Base-Base interactions energy: -138.349
where: short stacking energy: -71.612
Base-Backbone interact. energy: -0.671
local terms energy: -69.746685
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -141.929279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.929279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.929279 (E_RNA)
where:
Base-Base interactions energy: -86.425
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.200
local terms energy: -55.304453
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -3.858
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: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -96.743557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.743557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.743557 (E_RNA)
where:
Base-Base interactions energy: -40.602
where: short stacking energy: -40.602
Base-Backbone interact. energy: -0.042
local terms energy: -56.099602
where:
bonds (distance) C4'-P energy: -8.115
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -119.179943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.179943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.179943 (E_RNA)
where:
Base-Base interactions energy: -66.044
where: short stacking energy: -32.451
Base-Backbone interact. energy: -0.674
local terms energy: -52.461727
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -84.275405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.275405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.275405 (E_RNA)
where:
Base-Base interactions energy: -35.357
where: short stacking energy: -34.538
Base-Backbone interact. energy: -1.052
local terms energy: -47.867023
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -86.128702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.128702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.128702 (E_RNA)
where:
Base-Base interactions energy: -25.748
where: short stacking energy: -25.262
Base-Backbone interact. energy: -0.738
local terms energy: -59.643216
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -8.123
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: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -222.415870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.415870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.415870 (E_RNA)
where:
Base-Base interactions energy: -147.473
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.008
local terms energy: -74.934582
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -229.628105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.628105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.628105 (E_RNA)
where:
Base-Base interactions energy: -151.806
where: short stacking energy: -71.823
Base-Backbone interact. energy: -0.184
local terms energy: -77.638364
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -21.057
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: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -201.828432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.828432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.828432 (E_RNA)
where:
Base-Base interactions energy: -131.935
where: short stacking energy: -56.515
Base-Backbone interact. energy: 0.334
local terms energy: -70.228181
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -200.240870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.240870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.240870 (E_RNA)
where:
Base-Base interactions energy: -129.021
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.171
local terms energy: -71.049115
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -209.895941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.895941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.895941 (E_RNA)
where:
Base-Base interactions energy: -142.409
where: short stacking energy: -62.957
Base-Backbone interact. energy: -0.596
local terms energy: -66.890830
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -8.749
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -19.249
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: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -143.049588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.049588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.049588 (E_RNA)
where:
Base-Base interactions energy: -85.930
where: short stacking energy: -43.703
Base-Backbone interact. energy: 0.880
local terms energy: -57.999428
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -13.109
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: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -137.813247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.813247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.813247 (E_RNA)
where:
Base-Base interactions energy: -87.495
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.318
local terms energy: -50.000830
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -91.393268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.393268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.393268 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -33.412
Base-Backbone interact. energy: -1.348
local terms energy: -56.633265
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -76.005566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.005566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.005566 (E_RNA)
where:
Base-Base interactions energy: -28.105
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.135
local terms energy: -47.765660
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -7.739
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: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -76.581931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.581931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.581931 (E_RNA)
where:
Base-Base interactions energy: -28.168
where: short stacking energy: -25.276
Base-Backbone interact. energy: -0.550
local terms energy: -47.863414
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -0.384
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: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -221.334062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.334062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.334062 (E_RNA)
where:
Base-Base interactions energy: -144.615
where: short stacking energy: -61.591
Base-Backbone interact. energy: -0.283
local terms energy: -76.435552
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -218.471010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.471010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.471010 (E_RNA)
where:
Base-Base interactions energy: -147.992
where: short stacking energy: -56.031
Base-Backbone interact. energy: -0.790
local terms energy: -69.688413
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -223.926201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.926201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.926201 (E_RNA)
where:
Base-Base interactions energy: -147.992
where: short stacking energy: -71.257
Base-Backbone interact. energy: -0.025
local terms energy: -75.908868
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -209.791666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.791666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.791666 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.672
local terms energy: -65.161995
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -18.953
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: 337
Temperature: 1.100000
Total energy: -182.288730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.288730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.288730 (E_RNA)
where:
Base-Base interactions energy: -120.686
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.116
local terms energy: -61.486925
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -157.241052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.241052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.241052 (E_RNA)
where:
Base-Base interactions energy: -102.077
where: short stacking energy: -44.063
Base-Backbone interact. energy: -0.548
local terms energy: -54.616292
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -130.048719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.048719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.048719 (E_RNA)
where:
Base-Base interactions energy: -79.008
where: short stacking energy: -45.034
Base-Backbone interact. energy: -0.355
local terms energy: -50.685833
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -9.816
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: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -87.936389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.936389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.936389 (E_RNA)
where:
Base-Base interactions energy: -40.413
where: short stacking energy: -24.957
Base-Backbone interact. energy: -0.021
local terms energy: -47.502014
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -101.806292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.806292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.806292 (E_RNA)
where:
Base-Base interactions energy: -58.715
where: short stacking energy: -32.815
Base-Backbone interact. energy: -0.120
local terms energy: -42.971648
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -85.662430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.662430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.662430 (E_RNA)
where:
Base-Base interactions energy: -38.558
where: short stacking energy: -29.269
Base-Backbone interact. energy: -0.182
local terms energy: -46.922273
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -1.933
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -218.269735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.269735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.269735 (E_RNA)
where:
Base-Base interactions energy: -147.779
where: short stacking energy: -55.274
Base-Backbone interact. energy: -0.139
local terms energy: -70.351713
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -216.827969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.827969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.827969 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -67.148
Base-Backbone interact. energy: -0.023
local terms energy: -74.927131
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -21.393
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: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -214.699759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.699759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.699759 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -55.488
Base-Backbone interact. energy: -1.299
local terms energy: -80.388537
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -20.676
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: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -222.035085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.035085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.035085 (E_RNA)
where:
Base-Base interactions energy: -148.633
where: short stacking energy: -68.888
Base-Backbone interact. energy: 0.258
local terms energy: -73.659631
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -20.740
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: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -153.670724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.670724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.670724 (E_RNA)
where:
Base-Base interactions energy: -93.812
where: short stacking energy: -42.586
Base-Backbone interact. energy: -0.209
local terms energy: -59.649919
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -169.415336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.415336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.415336 (E_RNA)
where:
Base-Base interactions energy: -113.188
where: short stacking energy: -47.655
Base-Backbone interact. energy: -0.105
local terms energy: -56.121635
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -10.640
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: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -151.890879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.890879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.890879 (E_RNA)
where:
Base-Base interactions energy: -87.748
where: short stacking energy: -43.647
Base-Backbone interact. energy: -0.253
local terms energy: -63.890099
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -8.526
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: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -94.069449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.069449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.069449 (E_RNA)
where:
Base-Base interactions energy: -43.571
where: short stacking energy: -30.119
Base-Backbone interact. energy: 0.187
local terms energy: -50.685483
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -80.656522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.656522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.656522 (E_RNA)
where:
Base-Base interactions energy: -29.509
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.091
local terms energy: -51.056001
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -84.384567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.384567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.384567 (E_RNA)
where:
Base-Base interactions energy: -46.027
where: short stacking energy: -19.566
Base-Backbone interact. energy: -0.183
local terms energy: -38.174806
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -220.780397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.780397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.780397 (E_RNA)
where:
Base-Base interactions energy: -153.546
where: short stacking energy: -55.685
Base-Backbone interact. energy: -0.600
local terms energy: -66.634625
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -224.542321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.542321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.542321 (E_RNA)
where:
Base-Base interactions energy: -148.843
where: short stacking energy: -65.892
Base-Backbone interact. energy: -0.381
local terms energy: -75.318369
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -214.678993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.678993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.678993 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -65.876
Base-Backbone interact. energy: 0.167
local terms energy: -74.977909
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -212.242618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.242618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.242618 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -53.350
Base-Backbone interact. energy: -0.357
local terms energy: -61.797537
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -157.545064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.545064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.545064 (E_RNA)
where:
Base-Base interactions energy: -97.918
where: short stacking energy: -47.978
Base-Backbone interact. energy: -0.193
local terms energy: -59.433651
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -159.449439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.449439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.449439 (E_RNA)
where:
Base-Base interactions energy: -103.043
where: short stacking energy: -36.652
Base-Backbone interact. energy: -0.348
local terms energy: -56.057672
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -10.607
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -152.438273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.438273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.438273 (E_RNA)
where:
Base-Base interactions energy: -91.398
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.159
local terms energy: -60.881899
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -93.240171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.240171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.240171 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.038
local terms energy: -54.189197
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -71.378159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.378159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.378159 (E_RNA)
where:
Base-Base interactions energy: -22.017
where: short stacking energy: -20.997
Base-Backbone interact. energy: -0.332
local terms energy: -49.029105
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -77.827475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.827475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.827475 (E_RNA)
where:
Base-Base interactions energy: -28.679
where: short stacking energy: -21.422
Base-Backbone interact. energy: -0.065
local terms energy: -49.083048
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -221.306744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.306744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.306744 (E_RNA)
where:
Base-Base interactions energy: -147.336
where: short stacking energy: -72.954
Base-Backbone interact. energy: -0.122
local terms energy: -73.848523
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -220.210340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.210340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.210340 (E_RNA)
where:
Base-Base interactions energy: -141.168
where: short stacking energy: -64.583
Base-Backbone interact. energy: -1.050
local terms energy: -77.992599
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -214.755178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.755178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.755178 (E_RNA)
where:
Base-Base interactions energy: -138.209
where: short stacking energy: -59.608
Base-Backbone interact. energy: -0.450
local terms energy: -76.095753
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -194.318308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.318308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.318308 (E_RNA)
where:
Base-Base interactions energy: -127.662
where: short stacking energy: -53.933
Base-Backbone interact. energy: -1.411
local terms energy: -65.244418
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -159.911100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.911100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.911100 (E_RNA)
where:
Base-Base interactions energy: -96.054
where: short stacking energy: -60.335
Base-Backbone interact. energy: -1.024
local terms energy: -62.833237
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -8.826
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: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -191.318685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.318685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.318685 (E_RNA)
where:
Base-Base interactions energy: -133.385
where: short stacking energy: -67.624
Base-Backbone interact. energy: -0.355
local terms energy: -57.579191
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -8.454
flat angles P-C4'-P energy: -8.728
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: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -109.098682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.098682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.098682 (E_RNA)
where:
Base-Base interactions energy: -55.795
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.206
local terms energy: -53.098177
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -159.266045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.266045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.266045 (E_RNA)
where:
Base-Base interactions energy: -92.559
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.883
local terms energy: -65.824283
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -81.573991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.573991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.573991 (E_RNA)
where:
Base-Base interactions energy: -30.322
where: short stacking energy: -26.235
Base-Backbone interact. energy: 0.443
local terms energy: -51.694505
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -69.112472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.112472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.112472 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -31.413
Base-Backbone interact. energy: -0.439
local terms energy: -37.259817
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -221.710249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.710249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.710249 (E_RNA)
where:
Base-Base interactions energy: -143.568
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.288
local terms energy: -77.855101
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -207.659353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.659353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.659353 (E_RNA)
where:
Base-Base interactions energy: -135.377
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.095
local terms energy: -72.187215
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -212.405313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.405313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.405313 (E_RNA)
where:
Base-Base interactions energy: -137.108
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.066
local terms energy: -75.231789
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -201.175046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.175046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.175046 (E_RNA)
where:
Base-Base interactions energy: -128.243
where: short stacking energy: -51.861
Base-Backbone interact. energy: -1.899
local terms energy: -71.032723
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -11.808
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: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -159.372100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.372100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.372100 (E_RNA)
where:
Base-Base interactions energy: -102.189
where: short stacking energy: -41.988
Base-Backbone interact. energy: -0.728
local terms energy: -56.455639
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -189.164205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.164205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.164205 (E_RNA)
where:
Base-Base interactions energy: -135.508
where: short stacking energy: -50.709
Base-Backbone interact. energy: -0.411
local terms energy: -53.245590
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -152.939699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.939699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.939699 (E_RNA)
where:
Base-Base interactions energy: -91.996
where: short stacking energy: -40.943
Base-Backbone interact. energy: 0.006
local terms energy: -60.949684
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -150.214975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.214975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.214975 (E_RNA)
where:
Base-Base interactions energy: -89.175
where: short stacking energy: -44.055
Base-Backbone interact. energy: -0.013
local terms energy: -61.027396
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.722
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: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -85.255338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.255338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.255338 (E_RNA)
where:
Base-Base interactions energy: -40.428
where: short stacking energy: -26.476
Base-Backbone interact. energy: -0.296
local terms energy: -44.531515
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -2.395
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -87.694554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.694554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.694554 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.328
local terms energy: -45.707490
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -2.445
tors. eta vs tors. theta energy: -11.459
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: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -226.037631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.037631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.037631 (E_RNA)
where:
Base-Base interactions energy: -149.003
where: short stacking energy: -67.275
Base-Backbone interact. energy: -1.099
local terms energy: -75.934986
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -211.201945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.201945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.201945 (E_RNA)
where:
Base-Base interactions energy: -141.823
where: short stacking energy: -60.503
Base-Backbone interact. energy: -0.430
local terms energy: -68.948754
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -211.760831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.760831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.760831 (E_RNA)
where:
Base-Base interactions energy: -133.051
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.495
local terms energy: -78.214522
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -20.902
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: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -198.601842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.601842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.601842 (E_RNA)
where:
Base-Base interactions energy: -131.004
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.556
local terms energy: -67.041474
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -12.975
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: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -200.103797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.103797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.103797 (E_RNA)
where:
Base-Base interactions energy: -132.400
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.104
local terms energy: -67.600237
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -165.261600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.261600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.261600 (E_RNA)
where:
Base-Base interactions energy: -100.226
where: short stacking energy: -49.905
Base-Backbone interact. energy: 0.152
local terms energy: -65.187958
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -160.195749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.195749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.195749 (E_RNA)
where:
Base-Base interactions energy: -106.354
where: short stacking energy: -47.744
Base-Backbone interact. energy: -1.333
local terms energy: -52.509131
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -134.442956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.442956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.442956 (E_RNA)
where:
Base-Base interactions energy: -78.505
where: short stacking energy: -42.445
Base-Backbone interact. energy: -0.576
local terms energy: -55.362144
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -86.226825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.226825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.226825 (E_RNA)
where:
Base-Base interactions energy: -44.358
where: short stacking energy: -23.813
Base-Backbone interact. energy: -0.204
local terms energy: -41.664490
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: 4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -79.767971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767971 (E_RNA)
where:
Base-Base interactions energy: -31.847
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.309
local terms energy: -47.611740
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: 0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -228.547825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.547825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.547825 (E_RNA)
where:
Base-Base interactions energy: -144.061
where: short stacking energy: -66.675
Base-Backbone interact. energy: -1.165
local terms energy: -83.322309
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -213.584801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.584801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.584801 (E_RNA)
where:
Base-Base interactions energy: -138.947
where: short stacking energy: -63.182
Base-Backbone interact. energy: -0.692
local terms energy: -73.945568
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -211.179716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.179716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.179716 (E_RNA)
where:
Base-Base interactions energy: -134.750
where: short stacking energy: -61.903
Base-Backbone interact. energy: -0.773
local terms energy: -75.657178
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -210.968391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.968391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.968391 (E_RNA)
where:
Base-Base interactions energy: -140.466
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.088
local terms energy: -70.413850
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -21.075
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: 343
Temperature: 1.100000
Total energy: -213.273479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.273479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.273479 (E_RNA)
where:
Base-Base interactions energy: -136.488
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.004
local terms energy: -76.781463
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -9.783
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: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -151.510715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.510715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.510715 (E_RNA)
where:
Base-Base interactions energy: -97.195
where: short stacking energy: -41.888
Base-Backbone interact. energy: -0.795
local terms energy: -53.520450
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -6.796
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -143.222953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.222953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.222953 (E_RNA)
where:
Base-Base interactions energy: -88.498
where: short stacking energy: -48.669
Base-Backbone interact. energy: -0.014
local terms energy: -54.711200
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -144.496151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.496151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.496151 (E_RNA)
where:
Base-Base interactions energy: -85.709
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.151
local terms energy: -58.636551
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -109.492884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.492884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.492884 (E_RNA)
where:
Base-Base interactions energy: -65.439
where: short stacking energy: -30.634
Base-Backbone interact. energy: 1.349
local terms energy: -45.402816
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -5.810
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: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -70.294517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.294517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.294517 (E_RNA)
where:
Base-Base interactions energy: -27.278
where: short stacking energy: -27.278
Base-Backbone interact. energy: -0.098
local terms energy: -42.918644
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -227.522889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.522889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.522889 (E_RNA)
where:
Base-Base interactions energy: -147.133
where: short stacking energy: -68.238
Base-Backbone interact. energy: -1.662
local terms energy: -78.727933
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -20.178
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: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -213.522979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.522979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.522979 (E_RNA)
where:
Base-Base interactions energy: -138.301
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.090
local terms energy: -75.132077
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -210.288787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.288787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.288787 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.018
local terms energy: -74.253834
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -215.463090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.463090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.463090 (E_RNA)
where:
Base-Base interactions energy: -135.940
where: short stacking energy: -68.452
Base-Backbone interact. energy: -0.000
local terms energy: -79.522881
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -22.971
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: 344
Temperature: 1.100000
Total energy: -206.977120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.977120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.977120 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -56.755
Base-Backbone interact. energy: 0.587
local terms energy: -70.874878
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -147.296973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.296973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.296973 (E_RNA)
where:
Base-Base interactions energy: -87.146
where: short stacking energy: -50.804
Base-Backbone interact. energy: -0.034
local terms energy: -60.117482
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -138.978522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.978522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.978522 (E_RNA)
where:
Base-Base interactions energy: -81.185
where: short stacking energy: -40.642
Base-Backbone interact. energy: -0.104
local terms energy: -57.689793
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -137.045417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.045417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.045417 (E_RNA)
where:
Base-Base interactions energy: -77.716
where: short stacking energy: -41.929
Base-Backbone interact. energy: -0.296
local terms energy: -59.033070
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -79.803640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.803640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.803640 (E_RNA)
where:
Base-Base interactions energy: -27.655
where: short stacking energy: -21.540
Base-Backbone interact. energy: -0.396
local terms energy: -51.752757
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -88.826620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.826620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.826620 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -29.086
Base-Backbone interact. energy: -0.181
local terms energy: -54.871947
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -229.295397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.295397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.295397 (E_RNA)
where:
Base-Base interactions energy: -150.157
where: short stacking energy: -78.347
Base-Backbone interact. energy: -0.361
local terms energy: -78.777566
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -221.266205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.266205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.266205 (E_RNA)
where:
Base-Base interactions energy: -146.600
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.237
local terms energy: -74.429580
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -214.830565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.830565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.830565 (E_RNA)
where:
Base-Base interactions energy: -145.189
where: short stacking energy: -65.791
Base-Backbone interact. energy: -0.018
local terms energy: -69.624019
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -213.247187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.247187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.247187 (E_RNA)
where:
Base-Base interactions energy: -146.347
where: short stacking energy: -57.151
Base-Backbone interact. energy: -0.210
local terms energy: -66.689691
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -200.639096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.639096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.639096 (E_RNA)
where:
Base-Base interactions energy: -131.386
where: short stacking energy: -70.782
Base-Backbone interact. energy: -0.003
local terms energy: -69.249748
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -159.208781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.208781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.208781 (E_RNA)
where:
Base-Base interactions energy: -94.887
where: short stacking energy: -45.311
Base-Backbone interact. energy: -0.018
local terms energy: -64.303338
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -11.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -125.538708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.538708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.538708 (E_RNA)
where:
Base-Base interactions energy: -64.569
where: short stacking energy: -36.536
Base-Backbone interact. energy: -0.167
local terms energy: -60.803252
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -90.107488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.107488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.107488 (E_RNA)
where:
Base-Base interactions energy: -33.652
where: short stacking energy: -27.903
Base-Backbone interact. energy: 1.596
local terms energy: -58.051761
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -112.874062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.874062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.874062 (E_RNA)
where:
Base-Base interactions energy: -58.325
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.284
local terms energy: -54.264788
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -4.439
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -85.804486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.804486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.804486 (E_RNA)
where:
Base-Base interactions energy: -40.103
where: short stacking energy: -28.846
Base-Backbone interact. energy: -0.207
local terms energy: -45.493880
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -230.106291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.106291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.106291 (E_RNA)
where:
Base-Base interactions energy: -151.819
where: short stacking energy: -72.238
Base-Backbone interact. energy: -0.002
local terms energy: -78.285986
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -21.492
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: 346
Temperature: 0.950000
Total energy: -223.798220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.798220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.798220 (E_RNA)
where:
Base-Base interactions energy: -147.219
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.581
local terms energy: -75.998109
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -8.080
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: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -219.974330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.974330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.974330 (E_RNA)
where:
Base-Base interactions energy: -144.845
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.402
local terms energy: -74.727649
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -210.298353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.298353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.298353 (E_RNA)
where:
Base-Base interactions energy: -141.164
where: short stacking energy: -53.837
Base-Backbone interact. energy: -0.763
local terms energy: -68.371389
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -178.260241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.260241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.260241 (E_RNA)
where:
Base-Base interactions energy: -114.380
where: short stacking energy: -53.952
Base-Backbone interact. energy: -0.041
local terms energy: -63.839671
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -5.538
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: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -172.438450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.438450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.438450 (E_RNA)
where:
Base-Base interactions energy: -107.120
where: short stacking energy: -47.221
Base-Backbone interact. energy: -1.639
local terms energy: -63.679256
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -11.306
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: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -123.930349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.930349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.930349 (E_RNA)
where:
Base-Base interactions energy: -64.011
where: short stacking energy: -33.938
Base-Backbone interact. energy: 0.339
local terms energy: -60.258969
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -85.339518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.339518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.339518 (E_RNA)
where:
Base-Base interactions energy: -34.303
where: short stacking energy: -32.388
Base-Backbone interact. energy: -0.085
local terms energy: -50.952235
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -117.463908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.463908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.463908 (E_RNA)
where:
Base-Base interactions energy: -68.682
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.756
local terms energy: -48.025403
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -98.803501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.803501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.803501 (E_RNA)
where:
Base-Base interactions energy: -47.067
where: short stacking energy: -19.848
Base-Backbone interact. energy: -0.335
local terms energy: -51.401337
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -222.343631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.343631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.343631 (E_RNA)
where:
Base-Base interactions energy: -147.995
where: short stacking energy: -59.669
Base-Backbone interact. energy: -1.982
local terms energy: -72.366927
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -12.077
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: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -213.536898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.536898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.536898 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.421
local terms energy: -75.103086
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -217.956913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.956913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.956913 (E_RNA)
where:
Base-Base interactions energy: -139.734
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.009
local terms energy: -78.213732
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -211.429172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.429172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.429172 (E_RNA)
where:
Base-Base interactions energy: -150.601
where: short stacking energy: -68.169
Base-Backbone interact. energy: -0.028
local terms energy: -60.800828
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -16.208
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: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -195.512075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.512075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.512075 (E_RNA)
where:
Base-Base interactions energy: -121.937
where: short stacking energy: -70.000
Base-Backbone interact. energy: -0.005
local terms energy: -73.570480
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -182.830502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.830502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.830502 (E_RNA)
where:
Base-Base interactions energy: -116.391
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.001
local terms energy: -66.438602
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.259
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: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -150.559567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.559567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.559567 (E_RNA)
where:
Base-Base interactions energy: -95.894
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.639
local terms energy: -54.026577
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -125.348413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.348413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.348413 (E_RNA)
where:
Base-Base interactions energy: -75.567
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.335
local terms energy: -49.446635
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -8.761
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -3.155
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: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -86.122408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.122408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.122408 (E_RNA)
where:
Base-Base interactions energy: -35.506
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.053
local terms energy: -50.563129
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -75.927574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.927574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.927574 (E_RNA)
where:
Base-Base interactions energy: -25.590
where: short stacking energy: -17.783
Base-Backbone interact. energy: -0.051
local terms energy: -50.287276
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -224.399409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.399409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.399409 (E_RNA)
where:
Base-Base interactions energy: -141.392
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.549
local terms energy: -82.458122
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -223.719191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.719191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.719191 (E_RNA)
where:
Base-Base interactions energy: -145.373
where: short stacking energy: -68.168
Base-Backbone interact. energy: -0.001
local terms energy: -78.345625
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -12.055
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: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -210.212379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.212379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212379 (E_RNA)
where:
Base-Base interactions energy: -141.428
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.361
local terms energy: -68.424296
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -217.060528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.060528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.060528 (E_RNA)
where:
Base-Base interactions energy: -137.828
where: short stacking energy: -65.797
Base-Backbone interact. energy: -0.564
local terms energy: -78.669099
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -184.051808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.051808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.051808 (E_RNA)
where:
Base-Base interactions energy: -120.324
where: short stacking energy: -55.008
Base-Backbone interact. energy: -1.141
local terms energy: -62.586370
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -160.218810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.218810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.218810 (E_RNA)
where:
Base-Base interactions energy: -99.539
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.183
local terms energy: -60.497061
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -138.815622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.815622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.815622 (E_RNA)
where:
Base-Base interactions energy: -79.622
where: short stacking energy: -33.041
Base-Backbone interact. energy: -0.174
local terms energy: -59.020200
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -147.338052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.338052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.338052 (E_RNA)
where:
Base-Base interactions energy: -90.161
where: short stacking energy: -37.872
Base-Backbone interact. energy: -0.766
local terms energy: -56.411208
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -5.366
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: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -90.727381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.727381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.727381 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.194
local terms energy: -53.197660
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -87.729054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.729054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.729054 (E_RNA)
where:
Base-Base interactions energy: -38.859
where: short stacking energy: -36.071
Base-Backbone interact. energy: -0.035
local terms energy: -48.835198
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -226.852436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.852436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.852436 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.361
local terms energy: -75.443336
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.714
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: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -218.512219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.512219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.512219 (E_RNA)
where:
Base-Base interactions energy: -146.478
where: short stacking energy: -74.918
Base-Backbone interact. energy: -0.636
local terms energy: -71.398717
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -211.323769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.323769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.323769 (E_RNA)
where:
Base-Base interactions energy: -145.250
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.069
local terms energy: -66.004137
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -207.003392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.003392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.003392 (E_RNA)
where:
Base-Base interactions energy: -135.571
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.257
local terms energy: -71.175523
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -12.354
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: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -183.921758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.921758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.921758 (E_RNA)
where:
Base-Base interactions energy: -115.290
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.122
local terms energy: -68.509969
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -159.939488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.939488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.939488 (E_RNA)
where:
Base-Base interactions energy: -100.524
where: short stacking energy: -40.905
Base-Backbone interact. energy: -0.184
local terms energy: -59.231151
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -150.532175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.532175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.532175 (E_RNA)
where:
Base-Base interactions energy: -91.004
where: short stacking energy: -47.014
Base-Backbone interact. energy: -0.041
local terms energy: -59.487537
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -12.045
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: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -148.775283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.775283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.775283 (E_RNA)
where:
Base-Base interactions energy: -85.163
where: short stacking energy: -41.175
Base-Backbone interact. energy: -0.106
local terms energy: -63.506391
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -14.910
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: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -78.050852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.050852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.050852 (E_RNA)
where:
Base-Base interactions energy: -25.853
where: short stacking energy: -25.727
Base-Backbone interact. energy: -0.284
local terms energy: -51.914345
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -79.372013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.372013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.372013 (E_RNA)
where:
Base-Base interactions energy: -32.705
where: short stacking energy: -29.119
Base-Backbone interact. energy: -0.577
local terms energy: -46.090768
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -215.568310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.568310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.568310 (E_RNA)
where:
Base-Base interactions energy: -133.984
where: short stacking energy: -69.948
Base-Backbone interact. energy: -0.331
local terms energy: -81.253139
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -9.150
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: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -220.343909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.343909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.343909 (E_RNA)
where:
Base-Base interactions energy: -141.682
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.592
local terms energy: -78.070013
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -212.302018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.302018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.302018 (E_RNA)
where:
Base-Base interactions energy: -139.858
where: short stacking energy: -57.359
Base-Backbone interact. energy: 0.145
local terms energy: -72.589380
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -12.887
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: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -204.980418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.980418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.980418 (E_RNA)
where:
Base-Base interactions energy: -136.265
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.239
local terms energy: -68.476263
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -195.802760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.802760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.802760 (E_RNA)
where:
Base-Base interactions energy: -132.193
where: short stacking energy: -62.525
Base-Backbone interact. energy: 1.519
local terms energy: -65.128834
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -169.977818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.977818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.977818 (E_RNA)
where:
Base-Base interactions energy: -112.304
where: short stacking energy: -39.483
Base-Backbone interact. energy: -0.565
local terms energy: -57.109333
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -149.022757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.022757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.022757 (E_RNA)
where:
Base-Base interactions energy: -95.896
where: short stacking energy: -40.663
Base-Backbone interact. energy: -0.023
local terms energy: -53.103919
where:
bonds (distance) C4'-P energy: -6.067
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -146.421881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.421881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.421881 (E_RNA)
where:
Base-Base interactions energy: -91.146
where: short stacking energy: -38.265
Base-Backbone interact. energy: -0.022
local terms energy: -55.254639
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -11.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -80.937120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.937120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.937120 (E_RNA)
where:
Base-Base interactions energy: -29.152
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.036
local terms energy: -51.748740
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -78.602422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.602422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.602422 (E_RNA)
where:
Base-Base interactions energy: -29.780
where: short stacking energy: -28.560
Base-Backbone interact. energy: -0.262
local terms energy: -48.560013
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: 0.338
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: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -220.512233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.512233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.512233 (E_RNA)
where:
Base-Base interactions energy: -142.385
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.615
local terms energy: -77.511503
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -225.885454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.885454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.885454 (E_RNA)
where:
Base-Base interactions energy: -148.974
where: short stacking energy: -70.894
Base-Backbone interact. energy: -0.143
local terms energy: -76.768657
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.834
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: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -218.085750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.085750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.085750 (E_RNA)
where:
Base-Base interactions energy: -150.938
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.001
local terms energy: -67.146124
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -202.063683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.063683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.063683 (E_RNA)
where:
Base-Base interactions energy: -133.609
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.008
local terms energy: -68.446832
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.937
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: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -201.274407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.274407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.274407 (E_RNA)
where:
Base-Base interactions energy: -128.926
where: short stacking energy: -56.610
Base-Backbone interact. energy: -0.708
local terms energy: -71.640093
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -154.502891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.502891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.502891 (E_RNA)
where:
Base-Base interactions energy: -90.580
where: short stacking energy: -47.659
Base-Backbone interact. energy: -0.194
local terms energy: -63.729240
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -124.962449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.962449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.962449 (E_RNA)
where:
Base-Base interactions energy: -62.787
where: short stacking energy: -40.175
Base-Backbone interact. energy: -0.406
local terms energy: -61.769588
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -133.506371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.506371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.506371 (E_RNA)
where:
Base-Base interactions energy: -73.233
where: short stacking energy: -32.510
Base-Backbone interact. energy: -0.398
local terms energy: -59.875870
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -9.365
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: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -83.838345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.838345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.838345 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -23.164
Base-Backbone interact. energy: -0.188
local terms energy: -55.031978
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -8.339
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: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -75.699188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.699188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.699188 (E_RNA)
where:
Base-Base interactions energy: -35.937
where: short stacking energy: -32.564
Base-Backbone interact. energy: -0.097
local terms energy: -39.664464
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -225.513403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.513403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.513403 (E_RNA)
where:
Base-Base interactions energy: -144.949
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.418
local terms energy: -80.146401
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -22.493
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: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -213.287715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.287715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.287715 (E_RNA)
where:
Base-Base interactions energy: -135.329
where: short stacking energy: -61.952
Base-Backbone interact. energy: -0.350
local terms energy: -77.609110
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -217.763545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.763545 (E_RNA)
where:
Base-Base interactions energy: -144.328
where: short stacking energy: -68.361
Base-Backbone interact. energy: -0.129
local terms energy: -73.306514
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -188.997020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.997020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.997020 (E_RNA)
where:
Base-Base interactions energy: -133.435
where: short stacking energy: -53.722
Base-Backbone interact. energy: 0.240
local terms energy: -55.802026
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -8.127
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -201.679331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.679331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.679331 (E_RNA)
where:
Base-Base interactions energy: -125.440
where: short stacking energy: -62.884
Base-Backbone interact. energy: -0.073
local terms energy: -76.166573
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.886
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: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -162.670105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.670105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.670105 (E_RNA)
where:
Base-Base interactions energy: -98.783
where: short stacking energy: -51.067
Base-Backbone interact. energy: -0.453
local terms energy: -63.434122
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -147.524020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.524020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.524020 (E_RNA)
where:
Base-Base interactions energy: -95.661
where: short stacking energy: -40.099
Base-Backbone interact. energy: -0.660
local terms energy: -51.203377
where:
bonds (distance) C4'-P energy: -6.861
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -98.260783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.260783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.260783 (E_RNA)
where:
Base-Base interactions energy: -48.217
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.124
local terms energy: -49.920482
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -5.997
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: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -86.806808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.806808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.806808 (E_RNA)
where:
Base-Base interactions energy: -27.269
where: short stacking energy: -24.284
Base-Backbone interact. energy: -0.218
local terms energy: -59.319667
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -76.538170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.538170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.538170 (E_RNA)
where:
Base-Base interactions energy: -23.260
where: short stacking energy: -23.212
Base-Backbone interact. energy: -0.567
local terms energy: -52.711192
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -4.530
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: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -226.693435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.693435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.693435 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -72.298
Base-Backbone interact. energy: -0.013
local terms energy: -84.972126
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -218.875202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.875202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.875202 (E_RNA)
where:
Base-Base interactions energy: -138.577
where: short stacking energy: -64.146
Base-Backbone interact. energy: -1.235
local terms energy: -79.063192
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -9.562
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: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -202.049239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.049239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.049239 (E_RNA)
where:
Base-Base interactions energy: -128.491
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.104
local terms energy: -73.454335
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -207.194127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.194127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.194127 (E_RNA)
where:
Base-Base interactions energy: -137.427
where: short stacking energy: -67.029
Base-Backbone interact. energy: -0.471
local terms energy: -69.296228
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -191.329214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.329214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.329214 (E_RNA)
where:
Base-Base interactions energy: -119.550
where: short stacking energy: -59.289
Base-Backbone interact. energy: -0.322
local terms energy: -71.457236
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -16.723
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: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -150.397361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.397361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.397361 (E_RNA)
where:
Base-Base interactions energy: -96.555
where: short stacking energy: -47.297
Base-Backbone interact. energy: 0.183
local terms energy: -54.025425
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -5.742
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: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -146.213821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.213821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.213821 (E_RNA)
where:
Base-Base interactions energy: -90.613
where: short stacking energy: -49.050
Base-Backbone interact. energy: -0.550
local terms energy: -55.050944
where:
bonds (distance) C4'-P energy: -6.791
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -10.482
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: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -83.363906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363906 (E_RNA)
where:
Base-Base interactions energy: -30.170
where: short stacking energy: -23.315
Base-Backbone interact. energy: 0.262
local terms energy: -53.456334
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: 1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -93.417995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.417995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.417995 (E_RNA)
where:
Base-Base interactions energy: -43.990
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.017
local terms energy: -49.410576
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -8.897
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -6.599
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: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -133.562636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.562636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.562636 (E_RNA)
where:
Base-Base interactions energy: -84.758
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.412
local terms energy: -48.392424
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -6.615
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: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -220.308513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.308513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.308513 (E_RNA)
where:
Base-Base interactions energy: -137.978
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.007
local terms energy: -82.323576
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -218.544788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.544788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.544788 (E_RNA)
where:
Base-Base interactions energy: -138.196
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.002
local terms energy: -80.346949
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -201.090032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.090032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.090032 (E_RNA)
where:
Base-Base interactions energy: -132.742
where: short stacking energy: -43.374
Base-Backbone interact. energy: -1.036
local terms energy: -67.311361
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -9.790
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: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -197.274965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.274965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.274965 (E_RNA)
where:
Base-Base interactions energy: -128.528
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.311
local terms energy: -68.436550
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -197.110921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.110921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.110921 (E_RNA)
where:
Base-Base interactions energy: -127.583
where: short stacking energy: -61.077
Base-Backbone interact. energy: 0.494
local terms energy: -70.022206
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -156.024501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.024501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.024501 (E_RNA)
where:
Base-Base interactions energy: -95.381
where: short stacking energy: -48.048
Base-Backbone interact. energy: -0.122
local terms energy: -60.520981
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -8.084
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -104.151267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.151267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.151267 (E_RNA)
where:
Base-Base interactions energy: -61.338
where: short stacking energy: -36.995
Base-Backbone interact. energy: 0.169
local terms energy: -42.982362
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -1.705
tors. eta vs tors. theta energy: -3.042
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: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -106.081495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.081495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.081495 (E_RNA)
where:
Base-Base interactions energy: -55.070
where: short stacking energy: -30.042
Base-Backbone interact. energy: 0.102
local terms energy: -51.114217
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -9.626
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: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -117.165275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.165275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.165275 (E_RNA)
where:
Base-Base interactions energy: -66.262
where: short stacking energy: -35.386
Base-Backbone interact. energy: -0.311
local terms energy: -50.591666
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -10.441
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: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -81.113780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.113780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.113780 (E_RNA)
where:
Base-Base interactions energy: -28.176
where: short stacking energy: -26.136
Base-Backbone interact. energy: -0.580
local terms energy: -52.357695
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -13.116
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: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -226.667657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.667657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.667657 (E_RNA)
where:
Base-Base interactions energy: -147.054
where: short stacking energy: -75.450
Base-Backbone interact. energy: -0.112
local terms energy: -79.501225
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -22.484
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: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -199.569602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.569602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.569602 (E_RNA)
where:
Base-Base interactions energy: -138.667
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.457
local terms energy: -60.445387
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -214.527242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.527242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.527242 (E_RNA)
where:
Base-Base interactions energy: -147.345
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.003
local terms energy: -67.179403
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -202.354064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.354064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.354064 (E_RNA)
where:
Base-Base interactions energy: -131.134
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.067
local terms energy: -71.153217
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -178.741470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.741470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.741470 (E_RNA)
where:
Base-Base interactions energy: -113.822
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.014
local terms energy: -64.904943
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -12.605
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: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -157.243013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.243013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.243013 (E_RNA)
where:
Base-Base interactions energy: -87.651
where: short stacking energy: -46.265
Base-Backbone interact. energy: -0.022
local terms energy: -69.569934
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -11.377
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: 355
Temperature: 1.200000
Total energy: -97.431757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.431757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.431757 (E_RNA)
where:
Base-Base interactions energy: -33.753
where: short stacking energy: -33.753
Base-Backbone interact. energy: -0.010
local terms energy: -63.667996
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -8.966
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: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -86.612214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.612214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.612214 (E_RNA)
where:
Base-Base interactions energy: -40.626
where: short stacking energy: -33.202
Base-Backbone interact. energy: -0.181
local terms energy: -45.804912
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -92.035788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.035788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.035788 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -23.059
Base-Backbone interact. energy: 0.030
local terms energy: -51.290822
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -3.616
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: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -81.376061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.376061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.376061 (E_RNA)
where:
Base-Base interactions energy: -32.430
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.202
local terms energy: -48.744496
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -4.995
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: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -212.311092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.311092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.311092 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -56.716
Base-Backbone interact. energy: -0.600
local terms energy: -68.836219
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -219.067653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.067653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.067653 (E_RNA)
where:
Base-Base interactions energy: -144.166
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.794
local terms energy: -74.107485
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -11.505
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: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -206.737703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.737703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.737703 (E_RNA)
where:
Base-Base interactions energy: -139.306
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.055
local terms energy: -67.376945
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -208.255014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.255014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.255014 (E_RNA)
where:
Base-Base interactions energy: -139.435
where: short stacking energy: -70.611
Base-Backbone interact. energy: -0.002
local terms energy: -68.818728
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -12.095
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: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -170.953885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.953885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.953885 (E_RNA)
where:
Base-Base interactions energy: -100.568
where: short stacking energy: -56.344
Base-Backbone interact. energy: -0.051
local terms energy: -70.334729
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -10.439
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: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -139.728926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.728926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.728926 (E_RNA)
where:
Base-Base interactions energy: -83.024
where: short stacking energy: -45.525
Base-Backbone interact. energy: -0.290
local terms energy: -56.414386
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -96.975906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.975906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.975906 (E_RNA)
where:
Base-Base interactions energy: -47.572
where: short stacking energy: -38.996
Base-Backbone interact. energy: -0.190
local terms energy: -49.214113
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -92.275250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275250 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -37.075
Base-Backbone interact. energy: -0.006
local terms energy: -55.194697
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -6.728
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -7.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -75.641946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.641946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.641946 (E_RNA)
where:
Base-Base interactions energy: -32.266
where: short stacking energy: -22.942
Base-Backbone interact. energy: -0.028
local terms energy: -43.348755
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -12.298
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: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -79.611756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.611756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.611756 (E_RNA)
where:
Base-Base interactions energy: -35.963
where: short stacking energy: -25.788
Base-Backbone interact. energy: -0.102
local terms energy: -43.546201
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -8.571
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -202.032963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.032963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.032963 (E_RNA)
where:
Base-Base interactions energy: -130.483
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.064
local terms energy: -71.485778
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -222.514627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.514627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.514627 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.006
local terms energy: -67.142914
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -19.869
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: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -216.592064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.592064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.592064 (E_RNA)
where:
Base-Base interactions energy: -136.450
where: short stacking energy: -62.972
Base-Backbone interact. energy: -1.087
local terms energy: -79.055934
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -219.216237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.216237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.216237 (E_RNA)
where:
Base-Base interactions energy: -143.284
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.006
local terms energy: -75.926435
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.615
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: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -164.468170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.468170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.468170 (E_RNA)
where:
Base-Base interactions energy: -99.725
where: short stacking energy: -56.236
Base-Backbone interact. energy: -0.000
local terms energy: -64.742953
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -17.223
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: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -137.361387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.361387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.361387 (E_RNA)
where:
Base-Base interactions energy: -84.315
where: short stacking energy: -48.468
Base-Backbone interact. energy: -0.973
local terms energy: -52.073236
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -93.455984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.455984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.455984 (E_RNA)
where:
Base-Base interactions energy: -38.418
where: short stacking energy: -35.360
Base-Backbone interact. energy: -0.035
local terms energy: -55.002642
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -91.384234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.384234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.384234 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.675
local terms energy: -50.861137
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -78.982541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.982541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.982541 (E_RNA)
where:
Base-Base interactions energy: -37.714
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.139
local terms energy: -41.129027
where:
bonds (distance) C4'-P energy: -4.577
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -79.349483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.349483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.349483 (E_RNA)
where:
Base-Base interactions energy: -35.177
where: short stacking energy: -22.932
Base-Backbone interact. energy: -0.230
local terms energy: -43.941756
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -2.662
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: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -226.134104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.134104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.134104 (E_RNA)
where:
Base-Base interactions energy: -149.274
where: short stacking energy: -57.316
Base-Backbone interact. energy: -0.005
local terms energy: -76.854569
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -197.170524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.170524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.170524 (E_RNA)
where:
Base-Base interactions energy: -127.035
where: short stacking energy: -60.060
Base-Backbone interact. energy: -0.381
local terms energy: -69.753795
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -218.495419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.495419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.495419 (E_RNA)
where:
Base-Base interactions energy: -138.628
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.126
local terms energy: -79.742105
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -213.859858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.859858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.859858 (E_RNA)
where:
Base-Base interactions energy: -138.825
where: short stacking energy: -62.921
Base-Backbone interact. energy: -0.878
local terms energy: -74.156842
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -23.334
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: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -172.282000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.282000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.282000 (E_RNA)
where:
Base-Base interactions energy: -101.761
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.040
local terms energy: -70.480262
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -10.932
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: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -138.194519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.194519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.194519 (E_RNA)
where:
Base-Base interactions energy: -83.002
where: short stacking energy: -47.287
Base-Backbone interact. energy: -0.345
local terms energy: -54.846909
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -97.813510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.813510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.813510 (E_RNA)
where:
Base-Base interactions energy: -45.489
where: short stacking energy: -33.069
Base-Backbone interact. energy: -0.138
local terms energy: -52.187180
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -85.857825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.857825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.857825 (E_RNA)
where:
Base-Base interactions energy: -35.714
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.116
local terms energy: -50.027477
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -91.640945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.640945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.640945 (E_RNA)
where:
Base-Base interactions energy: -41.071
where: short stacking energy: -28.804
Base-Backbone interact. energy: -0.140
local terms energy: -50.430499
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -85.736958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.736958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.736958 (E_RNA)
where:
Base-Base interactions energy: -39.889
where: short stacking energy: -27.638
Base-Backbone interact. energy: 2.116
local terms energy: -47.963958
where:
bonds (distance) C4'-P energy: -3.825
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -224.141810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.141810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.141810 (E_RNA)
where:
Base-Base interactions energy: -152.767
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.514
local terms energy: -70.860617
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -6.520
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: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -220.674754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.674754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.674754 (E_RNA)
where:
Base-Base interactions energy: -145.873
where: short stacking energy: -69.861
Base-Backbone interact. energy: 0.031
local terms energy: -74.833541
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -19.460
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: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -194.524252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.524252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.524252 (E_RNA)
where:
Base-Base interactions energy: -127.863
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.375
local terms energy: -66.286224
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -211.200763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.200763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.200763 (E_RNA)
where:
Base-Base interactions energy: -138.932
where: short stacking energy: -64.841
Base-Backbone interact. energy: -0.128
local terms energy: -72.140741
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -6.563
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: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -164.546929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.546929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.546929 (E_RNA)
where:
Base-Base interactions energy: -99.979
where: short stacking energy: -52.564
Base-Backbone interact. energy: -0.005
local terms energy: -64.563084
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -152.298346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.298346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.298346 (E_RNA)
where:
Base-Base interactions energy: -102.615
where: short stacking energy: -46.348
Base-Backbone interact. energy: -0.392
local terms energy: -49.291428
where:
bonds (distance) C4'-P energy: -4.559
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -9.057
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: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -88.707887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.707887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.707887 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -36.899
Base-Backbone interact. energy: -0.141
local terms energy: -51.667803
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -95.027649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.027649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.027649 (E_RNA)
where:
Base-Base interactions energy: -39.243
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.003
local terms energy: -55.781369
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -8.366
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: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -77.137353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.137353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.137353 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -24.846
Base-Backbone interact. energy: -0.193
local terms energy: -48.008154
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -84.121294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.121294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.121294 (E_RNA)
where:
Base-Base interactions energy: -36.171
where: short stacking energy: -22.689
Base-Backbone interact. energy: -0.004
local terms energy: -47.946001
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -220.501508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.501508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.501508 (E_RNA)
where:
Base-Base interactions energy: -145.887
where: short stacking energy: -65.012
Base-Backbone interact. energy: -1.028
local terms energy: -73.586329
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -19.876
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: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -224.200606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.200606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.200606 (E_RNA)
where:
Base-Base interactions energy: -149.276
where: short stacking energy: -70.381
Base-Backbone interact. energy: -0.888
local terms energy: -74.036563
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -217.952991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.952991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.952991 (E_RNA)
where:
Base-Base interactions energy: -140.918
where: short stacking energy: -70.467
Base-Backbone interact. energy: -1.695
local terms energy: -75.339323
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -173.813274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.813274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.813274 (E_RNA)
where:
Base-Base interactions energy: -105.285
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.203
local terms energy: -68.324758
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -185.333918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.333918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.333918 (E_RNA)
where:
Base-Base interactions energy: -125.900
where: short stacking energy: -58.379
Base-Backbone interact. energy: 0.738
local terms energy: -60.171672
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -166.124134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.124134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.124134 (E_RNA)
where:
Base-Base interactions energy: -95.804
where: short stacking energy: -49.715
Base-Backbone interact. energy: -0.226
local terms energy: -70.094301
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -101.969756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.969756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.969756 (E_RNA)
where:
Base-Base interactions energy: -44.111
where: short stacking energy: -27.495
Base-Backbone interact. energy: -0.078
local terms energy: -57.780622
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -86.603948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.603948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.603948 (E_RNA)
where:
Base-Base interactions energy: -34.885
where: short stacking energy: -34.885
Base-Backbone interact. energy: -0.645
local terms energy: -51.074017
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -75.802203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.802203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.802203 (E_RNA)
where:
Base-Base interactions energy: -30.247
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.146
local terms energy: -45.409393
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -3.679
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -74.593481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.593481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.593481 (E_RNA)
where:
Base-Base interactions energy: -21.934
where: short stacking energy: -21.934
Base-Backbone interact. energy: -0.183
local terms energy: -52.476500
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.231
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: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -228.073634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.073634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.073634 (E_RNA)
where:
Base-Base interactions energy: -145.388
where: short stacking energy: -68.623
Base-Backbone interact. energy: -0.393
local terms energy: -82.291983
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -217.299479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.299479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.299479 (E_RNA)
where:
Base-Base interactions energy: -152.602
where: short stacking energy: -62.085
Base-Backbone interact. energy: -1.292
local terms energy: -63.404831
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -17.006
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -208.798342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.798342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.798342 (E_RNA)
where:
Base-Base interactions energy: -135.054
where: short stacking energy: -56.430
Base-Backbone interact. energy: -0.687
local terms energy: -73.056715
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -194.478272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.478272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.478272 (E_RNA)
where:
Base-Base interactions energy: -132.390
where: short stacking energy: -56.611
Base-Backbone interact. energy: -0.495
local terms energy: -61.593146
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -7.995
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -14.453
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: 361
Temperature: 1.100000
Total energy: -165.664187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.664187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.664187 (E_RNA)
where:
Base-Base interactions energy: -115.718
where: short stacking energy: -42.718
Base-Backbone interact. energy: 0.878
local terms energy: -50.824793
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -4.229
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -155.383093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.383093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.383093 (E_RNA)
where:
Base-Base interactions energy: -90.046
where: short stacking energy: -48.475
Base-Backbone interact. energy: -1.791
local terms energy: -63.545994
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -1.327
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -88.949730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.949730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.949730 (E_RNA)
where:
Base-Base interactions energy: -43.515
where: short stacking energy: -34.050
Base-Backbone interact. energy: -0.138
local terms energy: -45.296618
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -93.524808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.524808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.524808 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -32.481
Base-Backbone interact. energy: -0.085
local terms energy: -58.363222
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -10.788
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: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -80.056304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.056304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.056304 (E_RNA)
where:
Base-Base interactions energy: -34.245
where: short stacking energy: -33.678
Base-Backbone interact. energy: -0.058
local terms energy: -45.752999
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -3.485
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -84.247505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.247505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.247505 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -24.521
Base-Backbone interact. energy: -0.643
local terms energy: -46.771076
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -2.203
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: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -212.853780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.853780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.853780 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.002
local terms energy: -70.195165
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -16.328
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: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -222.772761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.772761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.772761 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -66.842
Base-Backbone interact. energy: -0.878
local terms energy: -78.010165
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -197.806579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.806579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.806579 (E_RNA)
where:
Base-Base interactions energy: -123.607
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.106
local terms energy: -74.092833
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -213.699150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.699150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.699150 (E_RNA)
where:
Base-Base interactions energy: -138.251
where: short stacking energy: -65.490
Base-Backbone interact. energy: -0.033
local terms energy: -75.414305
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -22.690
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: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -163.564264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.564264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.564264 (E_RNA)
where:
Base-Base interactions energy: -101.987
where: short stacking energy: -45.157
Base-Backbone interact. energy: -0.130
local terms energy: -61.447233
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -156.119004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.119004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.119004 (E_RNA)
where:
Base-Base interactions energy: -105.482
where: short stacking energy: -35.667
Base-Backbone interact. energy: -1.173
local terms energy: -49.463865
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -1.824
tors. eta vs tors. theta energy: -10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -90.663248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.663248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.663248 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -33.782
Base-Backbone interact. energy: -0.086
local terms energy: -54.964809
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -91.549116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.549116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.549116 (E_RNA)
where:
Base-Base interactions energy: -31.342
where: short stacking energy: -31.442
Base-Backbone interact. energy: -0.022
local terms energy: -60.185064
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -87.979700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.979700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.979700 (E_RNA)
where:
Base-Base interactions energy: -34.028
where: short stacking energy: -28.657
Base-Backbone interact. energy: -0.122
local terms energy: -53.830580
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -6.263
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: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -72.541561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.541561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.541561 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -29.930
Base-Backbone interact. energy: -0.360
local terms energy: -37.335709
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: 2.897
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: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -227.498937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.498937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.498937 (E_RNA)
where:
Base-Base interactions energy: -145.734
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.069
local terms energy: -81.696226
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -10.284
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: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -220.189234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.189234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.189234 (E_RNA)
where:
Base-Base interactions energy: -141.580
where: short stacking energy: -69.372
Base-Backbone interact. energy: -1.296
local terms energy: -77.312931
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -188.601919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.601919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.601919 (E_RNA)
where:
Base-Base interactions energy: -120.910
where: short stacking energy: -52.460
Base-Backbone interact. energy: -0.423
local terms energy: -67.268150
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -202.133628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.133628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.133628 (E_RNA)
where:
Base-Base interactions energy: -132.411
where: short stacking energy: -67.448
Base-Backbone interact. energy: -0.008
local terms energy: -69.715350
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -7.508
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: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -179.479201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.479201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.479201 (E_RNA)
where:
Base-Base interactions energy: -112.486
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.010
local terms energy: -66.982345
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -124.946638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.946638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.946638 (E_RNA)
where:
Base-Base interactions energy: -68.924
where: short stacking energy: -29.517
Base-Backbone interact. energy: 0.036
local terms energy: -56.058482
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -98.470291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.470291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.470291 (E_RNA)
where:
Base-Base interactions energy: -43.464
where: short stacking energy: -24.068
Base-Backbone interact. energy: -1.889
local terms energy: -53.117215
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -92.981490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.981490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.981490 (E_RNA)
where:
Base-Base interactions energy: -44.132
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.203
local terms energy: -48.646907
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -86.709691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.709691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.709691 (E_RNA)
where:
Base-Base interactions energy: -30.280
where: short stacking energy: -30.280
Base-Backbone interact. energy: -0.044
local terms energy: -56.385884
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -78.542527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.542527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.542527 (E_RNA)
where:
Base-Base interactions energy: -31.513
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.508
local terms energy: -46.521674
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -222.576372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.576372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.576372 (E_RNA)
where:
Base-Base interactions energy: -143.073
where: short stacking energy: -69.903
Base-Backbone interact. energy: -0.056
local terms energy: -79.447301
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -21.188
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -221.124265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.124265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.124265 (E_RNA)
where:
Base-Base interactions energy: -142.289
where: short stacking energy: -69.340
Base-Backbone interact. energy: -0.000
local terms energy: -78.835125
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -221.611353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.611353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.611353 (E_RNA)
where:
Base-Base interactions energy: -149.508
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.592
local terms energy: -71.510681
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -191.557175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.557175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.557175 (E_RNA)
where:
Base-Base interactions energy: -128.519
where: short stacking energy: -54.327
Base-Backbone interact. energy: -0.150
local terms energy: -62.888108
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -14.542
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: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -172.220571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.220571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.220571 (E_RNA)
where:
Base-Base interactions energy: -108.858
where: short stacking energy: -50.763
Base-Backbone interact. energy: 0.865
local terms energy: -64.227738
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -10.984
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: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -108.498621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.498621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.498621 (E_RNA)
where:
Base-Base interactions energy: -39.287
where: short stacking energy: -38.729
Base-Backbone interact. energy: -0.129
local terms energy: -69.082986
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -94.922270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.922270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.922270 (E_RNA)
where:
Base-Base interactions energy: -46.369
where: short stacking energy: -32.282
Base-Backbone interact. energy: -0.039
local terms energy: -48.513742
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -90.331430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331430 (E_RNA)
where:
Base-Base interactions energy: -51.050
where: short stacking energy: -15.831
Base-Backbone interact. energy: 1.185
local terms energy: -40.466760
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: 4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -88.963366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.963366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.963366 (E_RNA)
where:
Base-Base interactions energy: -33.547
where: short stacking energy: -22.312
Base-Backbone interact. energy: 0.266
local terms energy: -55.682269
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -87.948418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.948418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.948418 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -33.578
Base-Backbone interact. energy: -0.285
local terms energy: -52.079823
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -223.319927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.319927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.319927 (E_RNA)
where:
Base-Base interactions energy: -145.546
where: short stacking energy: -68.917
Base-Backbone interact. energy: -0.799
local terms energy: -76.975086
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -19.345
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: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -222.683544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.683544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.683544 (E_RNA)
where:
Base-Base interactions energy: -152.440
where: short stacking energy: -75.723
Base-Backbone interact. energy: -0.009
local terms energy: -70.234999
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -211.445852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.445852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.445852 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -55.873
Base-Backbone interact. energy: -1.551
local terms energy: -72.347373
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -15.743
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: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -201.614151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.614151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.614151 (E_RNA)
where:
Base-Base interactions energy: -138.818
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.080
local terms energy: -62.716075
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -8.833
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: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -158.857270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.857270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.857270 (E_RNA)
where:
Base-Base interactions energy: -98.817
where: short stacking energy: -52.005
Base-Backbone interact. energy: -0.634
local terms energy: -59.406861
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -98.992071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.992071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.992071 (E_RNA)
where:
Base-Base interactions energy: -45.830
where: short stacking energy: -32.021
Base-Backbone interact. energy: 0.680
local terms energy: -53.842011
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -95.978945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.978945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.978945 (E_RNA)
where:
Base-Base interactions energy: -40.275
where: short stacking energy: -33.007
Base-Backbone interact. energy: -0.243
local terms energy: -55.461157
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -93.269885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269885 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.109
local terms energy: -50.340898
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -10.168
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: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -88.497530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.497530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.497530 (E_RNA)
where:
Base-Base interactions energy: -55.289
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.082
local terms energy: -33.126094
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -1.998
tors. eta vs tors. theta energy: -0.213
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: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -104.917151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.917151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.917151 (E_RNA)
where:
Base-Base interactions energy: -60.327
where: short stacking energy: -27.475
Base-Backbone interact. energy: -0.302
local terms energy: -44.288105
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -219.824867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.824867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.824867 (E_RNA)
where:
Base-Base interactions energy: -145.827
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.000
local terms energy: -73.998102
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -8.269
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: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -217.298898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.298898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.298898 (E_RNA)
where:
Base-Base interactions energy: -141.807
where: short stacking energy: -70.624
Base-Backbone interact. energy: -0.003
local terms energy: -75.488677
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -214.792829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.792829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.792829 (E_RNA)
where:
Base-Base interactions energy: -141.542
where: short stacking energy: -62.944
Base-Backbone interact. energy: -0.013
local terms energy: -73.238557
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -220.465750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.465750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.465750 (E_RNA)
where:
Base-Base interactions energy: -148.993
where: short stacking energy: -71.734
Base-Backbone interact. energy: -0.084
local terms energy: -71.389424
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -173.108232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.108232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.108232 (E_RNA)
where:
Base-Base interactions energy: -109.159
where: short stacking energy: -55.794
Base-Backbone interact. energy: -0.051
local terms energy: -63.898663
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -99.416975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.416975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.416975 (E_RNA)
where:
Base-Base interactions energy: -42.824
where: short stacking energy: -41.301
Base-Backbone interact. energy: -0.263
local terms energy: -56.330142
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -6.743
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: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -101.376490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.376490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.376490 (E_RNA)
where:
Base-Base interactions energy: -46.383
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.131
local terms energy: -54.862355
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -85.961331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.961331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.961331 (E_RNA)
where:
Base-Base interactions energy: -34.685
where: short stacking energy: -17.729
Base-Backbone interact. energy: -0.413
local terms energy: -50.862425
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -8.197
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: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -117.969547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.969547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.969547 (E_RNA)
where:
Base-Base interactions energy: -65.540
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.515
local terms energy: -51.914208
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -91.956726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.956726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.956726 (E_RNA)
where:
Base-Base interactions energy: -31.521
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.221
local terms energy: -60.214000
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -221.945625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.945625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.945625 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.083
local terms energy: -73.516393
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -211.363714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.363714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.363714 (E_RNA)
where:
Base-Base interactions energy: -138.324
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.026
local terms energy: -73.014385
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -217.216645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.216645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.216645 (E_RNA)
where:
Base-Base interactions energy: -148.871
where: short stacking energy: -63.565
Base-Backbone interact. energy: -0.033
local terms energy: -68.312594
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -18.860
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: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -213.609726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.609726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.609726 (E_RNA)
where:
Base-Base interactions energy: -136.798
where: short stacking energy: -60.439
Base-Backbone interact. energy: 0.028
local terms energy: -76.840635
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -15.823
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: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -167.003503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.003503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.003503 (E_RNA)
where:
Base-Base interactions energy: -101.832
where: short stacking energy: -51.691
Base-Backbone interact. energy: -0.050
local terms energy: -65.122032
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -99.846015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.846015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.846015 (E_RNA)
where:
Base-Base interactions energy: -35.511
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.093
local terms energy: -64.242756
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.526
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: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -89.050027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.050027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.050027 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -31.891
Base-Backbone interact. energy: -0.596
local terms energy: -52.450740
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -130.165584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.165584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.165584 (E_RNA)
where:
Base-Base interactions energy: -77.116
where: short stacking energy: -42.811
Base-Backbone interact. energy: -0.173
local terms energy: -52.876932
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -5.389
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: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -78.643848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.643848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.643848 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.006
local terms energy: -49.059371
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -3.920
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: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -69.057899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.057899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.057899 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.019
local terms energy: -38.525798
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -5.451
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -225.913866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.913866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.913866 (E_RNA)
where:
Base-Base interactions energy: -147.406
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.063
local terms energy: -78.444842
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -20.282
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: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -212.279403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.279403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.279403 (E_RNA)
where:
Base-Base interactions energy: -136.707
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.228
local terms energy: -75.344113
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -20.921
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: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -208.551017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.551017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.551017 (E_RNA)
where:
Base-Base interactions energy: -137.166
where: short stacking energy: -61.081
Base-Backbone interact. energy: -1.280
local terms energy: -70.104959
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -218.029935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.029935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.029935 (E_RNA)
where:
Base-Base interactions energy: -144.351
where: short stacking energy: -69.262
Base-Backbone interact. energy: -1.863
local terms energy: -71.815201
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -173.440638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.440638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.440638 (E_RNA)
where:
Base-Base interactions energy: -112.245
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.235
local terms energy: -60.960222
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -101.606137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.606137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.606137 (E_RNA)
where:
Base-Base interactions energy: -46.482
where: short stacking energy: -20.881
Base-Backbone interact. energy: -0.160
local terms energy: -54.963584
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -104.652136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.652136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.652136 (E_RNA)
where:
Base-Base interactions energy: -50.919
where: short stacking energy: -36.385
Base-Backbone interact. energy: -0.897
local terms energy: -52.836811
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -9.834
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: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -92.774780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.774780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.774780 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -40.514
Base-Backbone interact. energy: -0.047
local terms energy: -51.730112
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -85.364262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.364262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.364262 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.259
local terms energy: -49.502933
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -80.851987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.851987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.851987 (E_RNA)
where:
Base-Base interactions energy: -41.513
where: short stacking energy: -35.819
Base-Backbone interact. energy: 0.066
local terms energy: -39.404603
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -7.175
flat angles P-C4'-P energy: -5.029
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: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -233.226519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.226519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.226519 (E_RNA)
where:
Base-Base interactions energy: -148.875
where: short stacking energy: -70.173
Base-Backbone interact. energy: -0.007
local terms energy: -84.345276
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -210.870774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.870774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.870774 (E_RNA)
where:
Base-Base interactions energy: -134.076
where: short stacking energy: -59.410
Base-Backbone interact. energy: -0.021
local terms energy: -76.774327
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -212.867012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.867012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.867012 (E_RNA)
where:
Base-Base interactions energy: -138.104
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.263
local terms energy: -74.500443
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -207.624101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.624101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.624101 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.036
local terms energy: -72.640626
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -11.525
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: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -154.429067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.429067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.429067 (E_RNA)
where:
Base-Base interactions energy: -86.276
where: short stacking energy: -45.683
Base-Backbone interact. energy: -0.101
local terms energy: -68.052399
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -96.832572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.832572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.832572 (E_RNA)
where:
Base-Base interactions energy: -40.380
where: short stacking energy: -40.380
Base-Backbone interact. energy: -0.147
local terms energy: -56.305135
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -102.579470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.579470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.579470 (E_RNA)
where:
Base-Base interactions energy: -44.989
where: short stacking energy: -27.587
Base-Backbone interact. energy: 0.366
local terms energy: -57.956544
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -3.208
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: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -90.393426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.393426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.393426 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -31.627
Base-Backbone interact. energy: -0.065
local terms energy: -54.933350
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -11.370
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: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -110.031316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.031316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.031316 (E_RNA)
where:
Base-Base interactions energy: -69.769
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.344
local terms energy: -39.918440
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: 0.162
tors. eta vs tors. theta energy: -2.970
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: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -92.088428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.088428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.088428 (E_RNA)
where:
Base-Base interactions energy: -45.292
where: short stacking energy: -19.255
Base-Backbone interact. energy: -0.665
local terms energy: -46.132171
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -3.203
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: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -223.290026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.290026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.290026 (E_RNA)
where:
Base-Base interactions energy: -149.764
where: short stacking energy: -76.098
Base-Backbone interact. energy: -0.001
local terms energy: -73.525240
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -207.028020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.028020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.028020 (E_RNA)
where:
Base-Base interactions energy: -133.601
where: short stacking energy: -51.397
Base-Backbone interact. energy: -1.014
local terms energy: -72.412811
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -222.400315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.400315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.400315 (E_RNA)
where:
Base-Base interactions energy: -147.387
where: short stacking energy: -68.278
Base-Backbone interact. energy: -0.383
local terms energy: -74.630176
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -22.097
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: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -193.063249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.063249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.063249 (E_RNA)
where:
Base-Base interactions energy: -119.689
where: short stacking energy: -54.098
Base-Backbone interact. energy: -0.072
local terms energy: -73.301338
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -164.214274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.214274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.214274 (E_RNA)
where:
Base-Base interactions energy: -103.726
where: short stacking energy: -42.865
Base-Backbone interact. energy: -0.101
local terms energy: -60.387309
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -7.393
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: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -119.642688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.642688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.642688 (E_RNA)
where:
Base-Base interactions energy: -66.421
where: short stacking energy: -50.380
Base-Backbone interact. energy: -1.020
local terms energy: -52.202491
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -2.169
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: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -101.135957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.135957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.135957 (E_RNA)
where:
Base-Base interactions energy: -45.856
where: short stacking energy: -36.031
Base-Backbone interact. energy: -0.942
local terms energy: -54.337657
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -100.060990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.060990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.060990 (E_RNA)
where:
Base-Base interactions energy: -43.406
where: short stacking energy: -43.406
Base-Backbone interact. energy: -0.003
local terms energy: -56.651841
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -9.780
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: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -82.322263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.322263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.322263 (E_RNA)
where:
Base-Base interactions energy: -30.096
where: short stacking energy: -26.463
Base-Backbone interact. energy: -0.078
local terms energy: -52.148283
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -84.126150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.126150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.126150 (E_RNA)
where:
Base-Base interactions energy: -39.629
where: short stacking energy: -35.270
Base-Backbone interact. energy: -0.775
local terms energy: -43.721769
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -220.345900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.345900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.345900 (E_RNA)
where:
Base-Base interactions energy: -154.800
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.201
local terms energy: -65.344966
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -223.487096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.487096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.487096 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.805
local terms energy: -81.843921
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -190.550665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.550665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.550665 (E_RNA)
where:
Base-Base interactions energy: -126.998
where: short stacking energy: -47.613
Base-Backbone interact. energy: -0.188
local terms energy: -63.365051
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -178.650410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.650410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.650410 (E_RNA)
where:
Base-Base interactions energy: -121.506
where: short stacking energy: -47.924
Base-Backbone interact. energy: -0.172
local terms energy: -56.972540
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -7.239
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.114
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: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -193.008716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.008716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.008716 (E_RNA)
where:
Base-Base interactions energy: -119.847
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.158
local terms energy: -73.004008
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -98.909949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.909949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.909949 (E_RNA)
where:
Base-Base interactions energy: -43.079
where: short stacking energy: -33.882
Base-Backbone interact. energy: 2.385
local terms energy: -58.216432
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -93.421195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.421195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.421195 (E_RNA)
where:
Base-Base interactions energy: -33.303
where: short stacking energy: -31.057
Base-Backbone interact. energy: -0.117
local terms energy: -60.000831
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -110.532536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.532536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.532536 (E_RNA)
where:
Base-Base interactions energy: -47.043
where: short stacking energy: -47.043
Base-Backbone interact. energy: -0.039
local terms energy: -63.450265
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -87.506147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506147 (E_RNA)
where:
Base-Base interactions energy: -31.536
where: short stacking energy: -31.479
Base-Backbone interact. energy: 2.655
local terms energy: -58.624817
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -84.123100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.123100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.123100 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -28.625
Base-Backbone interact. energy: -0.049
local terms energy: -53.074842
where:
bonds (distance) C4'-P energy: -8.221
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.037
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: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -229.348059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.348059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.348059 (E_RNA)
where:
Base-Base interactions energy: -153.813
where: short stacking energy: -71.569
Base-Backbone interact. energy: -0.001
local terms energy: -75.533832
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -221.240980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.240980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.240980 (E_RNA)
where:
Base-Base interactions energy: -141.010
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.004
local terms energy: -80.227040
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -18.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -204.949235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.949235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.949235 (E_RNA)
where:
Base-Base interactions energy: -129.011
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.288
local terms energy: -75.649605
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -187.688470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.688470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.688470 (E_RNA)
where:
Base-Base interactions energy: -123.117
where: short stacking energy: -56.010
Base-Backbone interact. energy: -0.129
local terms energy: -64.442243
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -177.224645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.224645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.224645 (E_RNA)
where:
Base-Base interactions energy: -115.306
where: short stacking energy: -49.732
Base-Backbone interact. energy: 0.043
local terms energy: -61.961546
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -114.410164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.410164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.410164 (E_RNA)
where:
Base-Base interactions energy: -65.469
where: short stacking energy: -39.202
Base-Backbone interact. energy: -0.787
local terms energy: -48.154785
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -6.590
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -91.852746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.852746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.852746 (E_RNA)
where:
Base-Base interactions energy: -36.022
where: short stacking energy: -35.506
Base-Backbone interact. energy: -0.099
local terms energy: -55.732327
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -91.810431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.810431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.810431 (E_RNA)
where:
Base-Base interactions energy: -41.188
where: short stacking energy: -28.761
Base-Backbone interact. energy: -0.245
local terms energy: -50.377755
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -92.581522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.581522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.581522 (E_RNA)
where:
Base-Base interactions energy: -35.376
where: short stacking energy: -31.030
Base-Backbone interact. energy: -0.217
local terms energy: -56.988575
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -81.008607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.008607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.008607 (E_RNA)
where:
Base-Base interactions energy: -46.644
where: short stacking energy: -31.466
Base-Backbone interact. energy: -0.439
local terms energy: -33.925123
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -1.456
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -220.644891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.644891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.644891 (E_RNA)
where:
Base-Base interactions energy: -144.977
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.003
local terms energy: -75.664924
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -223.393965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.393965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.393965 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.007
local terms energy: -79.368795
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -12.541
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: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -207.741814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.741814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.741814 (E_RNA)
where:
Base-Base interactions energy: -135.924
where: short stacking energy: -66.275
Base-Backbone interact. energy: -0.017
local terms energy: -71.801505
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -199.309997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.309997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.309997 (E_RNA)
where:
Base-Base interactions energy: -138.334
where: short stacking energy: -51.367
Base-Backbone interact. energy: -0.338
local terms energy: -60.638474
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -145.439639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.439639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.439639 (E_RNA)
where:
Base-Base interactions energy: -86.874
where: short stacking energy: -44.463
Base-Backbone interact. energy: -0.264
local terms energy: -58.301782
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -8.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -95.966702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.966702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.966702 (E_RNA)
where:
Base-Base interactions energy: -48.437
where: short stacking energy: -15.237
Base-Backbone interact. energy: -0.236
local terms energy: -47.294295
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -7.572
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: 4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -94.732666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.732666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.732666 (E_RNA)
where:
Base-Base interactions energy: -42.944
where: short stacking energy: -27.691
Base-Backbone interact. energy: -0.024
local terms energy: -51.764226
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -84.891816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.891816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.891816 (E_RNA)
where:
Base-Base interactions energy: -31.681
where: short stacking energy: -31.681
Base-Backbone interact. energy: -0.184
local terms energy: -53.026814
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -93.941709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.941709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.941709 (E_RNA)
where:
Base-Base interactions energy: -38.420
where: short stacking energy: -19.049
Base-Backbone interact. energy: -0.067
local terms energy: -55.454364
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -4.645
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: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -95.721154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.721154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.721154 (E_RNA)
where:
Base-Base interactions energy: -36.221
where: short stacking energy: -35.318
Base-Backbone interact. energy: -0.169
local terms energy: -59.330657
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -224.111507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.111507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.111507 (E_RNA)
where:
Base-Base interactions energy: -148.840
where: short stacking energy: -71.459
Base-Backbone interact. energy: -0.001
local terms energy: -75.270401
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -216.358086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.358086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.358086 (E_RNA)
where:
Base-Base interactions energy: -140.708
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.001
local terms energy: -75.649194
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -212.232462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.232462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.232462 (E_RNA)
where:
Base-Base interactions energy: -139.594
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.003
local terms energy: -72.635273
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -188.462462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.462462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.462462 (E_RNA)
where:
Base-Base interactions energy: -129.466
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.641
local terms energy: -58.354618
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -149.167936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.167936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.167936 (E_RNA)
where:
Base-Base interactions energy: -96.565
where: short stacking energy: -47.663
Base-Backbone interact. energy: 0.954
local terms energy: -53.557619
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -10.602
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: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -104.671387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.671387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.671387 (E_RNA)
where:
Base-Base interactions energy: -43.349
where: short stacking energy: -43.349
Base-Backbone interact. energy: -0.255
local terms energy: -61.068214
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -89.266954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.266954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.266954 (E_RNA)
where:
Base-Base interactions energy: -41.510
where: short stacking energy: -33.072
Base-Backbone interact. energy: 1.197
local terms energy: -48.954512
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -3.068
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: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -92.991194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991194 (E_RNA)
where:
Base-Base interactions energy: -38.224
where: short stacking energy: -37.816
Base-Backbone interact. energy: -1.433
local terms energy: -53.334230
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -108.216351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.216351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.216351 (E_RNA)
where:
Base-Base interactions energy: -66.332
where: short stacking energy: -33.750
Base-Backbone interact. energy: -0.183
local terms energy: -41.701745
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -5.772
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -77.463807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.463807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.463807 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -34.789
Base-Backbone interact. energy: 1.710
local terms energy: -44.384980
where:
bonds (distance) C4'-P energy: -7.236
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -223.680775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.680775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.680775 (E_RNA)
where:
Base-Base interactions energy: -146.826
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.343
local terms energy: -76.511891
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -11.264
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: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -219.924266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.924266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.924266 (E_RNA)
where:
Base-Base interactions energy: -147.507
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.001
local terms energy: -72.416614
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -5.574
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: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -216.230895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.230895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.230895 (E_RNA)
where:
Base-Base interactions energy: -143.134
where: short stacking energy: -75.288
Base-Backbone interact. energy: -0.166
local terms energy: -72.931696
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -8.570
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: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -171.585918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.585918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.585918 (E_RNA)
where:
Base-Base interactions energy: -103.160
where: short stacking energy: -52.201
Base-Backbone interact. energy: -0.220
local terms energy: -68.206297
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -194.262437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.262437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.262437 (E_RNA)
where:
Base-Base interactions energy: -122.170
where: short stacking energy: -62.219
Base-Backbone interact. energy: -0.028
local terms energy: -72.064369
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -100.322176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.322176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.322176 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.259
local terms energy: -58.485451
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -85.781437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.781437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.781437 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.136
local terms energy: -53.063919
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -123.728489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.728489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.728489 (E_RNA)
where:
Base-Base interactions energy: -79.825
where: short stacking energy: -32.784
Base-Backbone interact. energy: 2.565
local terms energy: -46.468451
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -7.294
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: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.926787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.926787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.926787 (E_RNA)
where:
Base-Base interactions energy: -31.213
where: short stacking energy: -28.169
Base-Backbone interact. energy: -1.280
local terms energy: -55.432880
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -74.434444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.434444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.434444 (E_RNA)
where:
Base-Base interactions energy: -25.172
where: short stacking energy: -25.172
Base-Backbone interact. energy: -0.272
local terms energy: -48.989757
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -8.074
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: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -221.573373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.573373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.573373 (E_RNA)
where:
Base-Base interactions energy: -142.975
where: short stacking energy: -65.622
Base-Backbone interact. energy: -1.335
local terms energy: -77.263024
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -207.518274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.518274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.518274 (E_RNA)
where:
Base-Base interactions energy: -133.889
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.062
local terms energy: -73.567635
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -210.434289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.434289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.434289 (E_RNA)
where:
Base-Base interactions energy: -135.037
where: short stacking energy: -53.868
Base-Backbone interact. energy: 0.126
local terms energy: -75.523753
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -170.810207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.810207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.810207 (E_RNA)
where:
Base-Base interactions energy: -106.890
where: short stacking energy: -54.586
Base-Backbone interact. energy: -0.002
local terms energy: -63.917720
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -9.806
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: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -184.912926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.912926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.912926 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -50.922
Base-Backbone interact. energy: 0.968
local terms energy: -65.251085
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -104.599174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.599174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.599174 (E_RNA)
where:
Base-Base interactions energy: -43.630
where: short stacking energy: -39.634
Base-Backbone interact. energy: -1.125
local terms energy: -59.843431
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.103
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: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -138.022955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.022955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.022955 (E_RNA)
where:
Base-Base interactions energy: -86.926
where: short stacking energy: -46.915
Base-Backbone interact. energy: -0.138
local terms energy: -50.959602
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -85.205727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.205727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.205727 (E_RNA)
where:
Base-Base interactions energy: -37.540
where: short stacking energy: -20.034
Base-Backbone interact. energy: -0.139
local terms energy: -47.526656
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -94.708364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.708364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.708364 (E_RNA)
where:
Base-Base interactions energy: -40.735
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.118
local terms energy: -53.854907
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -75.134743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.134743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.134743 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -30.786
Base-Backbone interact. energy: -0.144
local terms energy: -43.000466
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -219.236164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.236164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.236164 (E_RNA)
where:
Base-Base interactions energy: -139.904
where: short stacking energy: -66.869
Base-Backbone interact. energy: -1.306
local terms energy: -78.026811
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -216.930647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.930647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.930647 (E_RNA)
where:
Base-Base interactions energy: -136.300
where: short stacking energy: -59.879
Base-Backbone interact. energy: -0.442
local terms energy: -80.188594
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -203.624794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.624794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.624794 (E_RNA)
where:
Base-Base interactions energy: -134.945
where: short stacking energy: -57.557
Base-Backbone interact. energy: -0.013
local terms energy: -68.666512
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -10.941
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: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -186.151257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.151257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.151257 (E_RNA)
where:
Base-Base interactions energy: -126.204
where: short stacking energy: -49.175
Base-Backbone interact. energy: -1.228
local terms energy: -58.719327
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -170.558723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.558723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.558723 (E_RNA)
where:
Base-Base interactions energy: -106.581
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.530
local terms energy: -63.447150
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -148.880005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.880005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.880005 (E_RNA)
where:
Base-Base interactions energy: -89.060
where: short stacking energy: -37.962
Base-Backbone interact. energy: -0.308
local terms energy: -59.512479
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -102.723949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.723949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.723949 (E_RNA)
where:
Base-Base interactions energy: -50.244
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.364
local terms energy: -52.116805
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -4.977
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: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -97.497333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.497333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.497333 (E_RNA)
where:
Base-Base interactions energy: -49.055
where: short stacking energy: -16.653
Base-Backbone interact. energy: -0.606
local terms energy: -47.836259
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: 0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -82.042734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.042734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.042734 (E_RNA)
where:
Base-Base interactions energy: -28.389
where: short stacking energy: -27.122
Base-Backbone interact. energy: -0.098
local terms energy: -53.555044
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -80.146876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.146876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.146876 (E_RNA)
where:
Base-Base interactions energy: -33.153
where: short stacking energy: -33.153
Base-Backbone interact. energy: -0.004
local terms energy: -46.989489
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -7.550
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: 378
Temperature: 0.900000
Total energy: -224.741709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.741709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.741709 (E_RNA)
where:
Base-Base interactions energy: -146.070
where: short stacking energy: -54.604
Base-Backbone interact. energy: -2.583
local terms energy: -76.088725
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -223.118863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.118863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.118863 (E_RNA)
where:
Base-Base interactions energy: -143.564
where: short stacking energy: -66.158
Base-Backbone interact. energy: 0.187
local terms energy: -79.741698
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -208.448898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.448898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.448898 (E_RNA)
where:
Base-Base interactions energy: -140.929
where: short stacking energy: -51.973
Base-Backbone interact. energy: -0.390
local terms energy: -67.130534
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -172.369711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.369711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.369711 (E_RNA)
where:
Base-Base interactions energy: -109.529
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.421
local terms energy: -62.419640
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -14.802
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: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -145.076924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.076924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.076924 (E_RNA)
where:
Base-Base interactions energy: -85.268
where: short stacking energy: -41.865
Base-Backbone interact. energy: -0.684
local terms energy: -59.125041
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -173.890880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.890880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.890880 (E_RNA)
where:
Base-Base interactions energy: -108.394
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.049
local terms energy: -65.447430
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -106.134162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.134162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.134162 (E_RNA)
where:
Base-Base interactions energy: -47.671
where: short stacking energy: -41.824
Base-Backbone interact. energy: -0.344
local terms energy: -58.119091
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -90.920683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.920683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.920683 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -26.066
Base-Backbone interact. energy: -1.063
local terms energy: -50.377717
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -5.846
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: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -92.986045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.986045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.986045 (E_RNA)
where:
Base-Base interactions energy: -41.411
where: short stacking energy: -29.080
Base-Backbone interact. energy: -0.327
local terms energy: -51.248176
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -80.044797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.044797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.044797 (E_RNA)
where:
Base-Base interactions energy: -37.751
where: short stacking energy: -29.706
Base-Backbone interact. energy: 0.378
local terms energy: -42.671883
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -3.513
tors. eta vs tors. theta energy: -6.155
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -222.161614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.161614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.161614 (E_RNA)
where:
Base-Base interactions energy: -147.370
where: short stacking energy: -56.464
Base-Backbone interact. energy: -0.516
local terms energy: -74.274939
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -223.624728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.624728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.624728 (E_RNA)
where:
Base-Base interactions energy: -143.539
where: short stacking energy: -76.034
Base-Backbone interact. energy: -0.008
local terms energy: -80.078342
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -211.105270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.105270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.105270 (E_RNA)
where:
Base-Base interactions energy: -136.257
where: short stacking energy: -56.418
Base-Backbone interact. energy: -0.610
local terms energy: -74.237449
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -191.282996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.282996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.282996 (E_RNA)
where:
Base-Base interactions energy: -119.728
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.025
local terms energy: -71.530476
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -17.839
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: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -144.644262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.644262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.644262 (E_RNA)
where:
Base-Base interactions energy: -86.260
where: short stacking energy: -54.699
Base-Backbone interact. energy: 0.388
local terms energy: -58.772028
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -8.483
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: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -144.833112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.833112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.833112 (E_RNA)
where:
Base-Base interactions energy: -82.556
where: short stacking energy: -37.030
Base-Backbone interact. energy: -0.378
local terms energy: -61.900038
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -143.491914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.491914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.491914 (E_RNA)
where:
Base-Base interactions energy: -87.166
where: short stacking energy: -38.331
Base-Backbone interact. energy: -0.581
local terms energy: -55.744915
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -6.269
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: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -90.432838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.432838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.432838 (E_RNA)
where:
Base-Base interactions energy: -43.783
where: short stacking energy: -22.318
Base-Backbone interact. energy: -0.140
local terms energy: -46.510190
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: 1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -81.173929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.173929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.173929 (E_RNA)
where:
Base-Base interactions energy: -26.875
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.197
local terms energy: -54.102118
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -93.957852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.957852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.957852 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -30.066
Base-Backbone interact. energy: 0.229
local terms energy: -56.186282
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -220.806949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.806949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.806949 (E_RNA)
where:
Base-Base interactions energy: -147.236
where: short stacking energy: -55.136
Base-Backbone interact. energy: -2.267
local terms energy: -71.303559
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -204.089560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.089560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.089560 (E_RNA)
where:
Base-Base interactions energy: -138.392
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.361
local terms energy: -65.336791
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -219.208121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.208121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.208121 (E_RNA)
where:
Base-Base interactions energy: -138.745
where: short stacking energy: -60.652
Base-Backbone interact. energy: -1.006
local terms energy: -79.457378
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -18.771
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: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -187.778709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.778709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.778709 (E_RNA)
where:
Base-Base interactions energy: -120.576
where: short stacking energy: -49.601
Base-Backbone interact. energy: -0.035
local terms energy: -67.167683
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -166.092430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.092430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.092430 (E_RNA)
where:
Base-Base interactions energy: -105.581
where: short stacking energy: -58.762
Base-Backbone interact. energy: -0.321
local terms energy: -60.191030
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -11.241
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: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -142.614829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.614829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.614829 (E_RNA)
where:
Base-Base interactions energy: -84.038
where: short stacking energy: -46.823
Base-Backbone interact. energy: -0.517
local terms energy: -58.059239
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -135.310821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.310821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.310821 (E_RNA)
where:
Base-Base interactions energy: -85.610
where: short stacking energy: -37.443
Base-Backbone interact. energy: -0.575
local terms energy: -49.126554
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -97.222164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.222164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.222164 (E_RNA)
where:
Base-Base interactions energy: -45.338
where: short stacking energy: -40.908
Base-Backbone interact. energy: -0.136
local terms energy: -51.748021
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -85.498579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.498579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.498579 (E_RNA)
where:
Base-Base interactions energy: -42.579
where: short stacking energy: -27.438
Base-Backbone interact. energy: 0.685
local terms energy: -43.604236
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -83.435385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.435385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.435385 (E_RNA)
where:
Base-Base interactions energy: -35.951
where: short stacking energy: -34.440
Base-Backbone interact. energy: -0.039
local terms energy: -47.445350
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -218.324384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.324384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.324384 (E_RNA)
where:
Base-Base interactions energy: -141.388
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.280
local terms energy: -76.656363
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -22.269
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: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -212.138623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.138623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.138623 (E_RNA)
where:
Base-Base interactions energy: -145.549
where: short stacking energy: -57.097
Base-Backbone interact. energy: -0.692
local terms energy: -65.897118
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -199.531471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.531471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.531471 (E_RNA)
where:
Base-Base interactions energy: -124.560
where: short stacking energy: -54.381
Base-Backbone interact. energy: -0.072
local terms energy: -74.898639
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -193.203235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.203235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.203235 (E_RNA)
where:
Base-Base interactions energy: -122.970
where: short stacking energy: -56.464
Base-Backbone interact. energy: -0.336
local terms energy: -69.897205
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -158.370196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.370196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.370196 (E_RNA)
where:
Base-Base interactions energy: -95.273
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.652
local terms energy: -62.445686
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -89.372539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.372539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.372539 (E_RNA)
where:
Base-Base interactions energy: -26.843
where: short stacking energy: -25.928
Base-Backbone interact. energy: -1.061
local terms energy: -61.468748
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -12.197
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: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -139.276082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.276082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.276082 (E_RNA)
where:
Base-Base interactions energy: -78.295
where: short stacking energy: -40.063
Base-Backbone interact. energy: -0.160
local terms energy: -60.821212
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -97.182864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.182864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.182864 (E_RNA)
where:
Base-Base interactions energy: -43.670
where: short stacking energy: -38.930
Base-Backbone interact. energy: -0.217
local terms energy: -53.295395
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -82.738910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.738910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.738910 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -32.036
Base-Backbone interact. energy: -0.089
local terms energy: -48.819528
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -4.122
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -77.486779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.486779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.486779 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -24.017
Base-Backbone interact. energy: -0.430
local terms energy: -46.626097
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: 0.312
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: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -218.717043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.717043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.717043 (E_RNA)
where:
Base-Base interactions energy: -150.793
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.060
local terms energy: -67.863818
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -231.719310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.719310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.719310 (E_RNA)
where:
Base-Base interactions energy: -146.851
where: short stacking energy: -64.624
Base-Backbone interact. energy: -1.915
local terms energy: -82.953380
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -13.840
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: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -206.400873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.400873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.400873 (E_RNA)
where:
Base-Base interactions energy: -141.661
where: short stacking energy: -51.795
Base-Backbone interact. energy: -0.122
local terms energy: -64.618102
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -205.189239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.189239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.189239 (E_RNA)
where:
Base-Base interactions energy: -136.453
where: short stacking energy: -69.446
Base-Backbone interact. energy: -0.019
local terms energy: -68.717233
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -12.483
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: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -160.308959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.308959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.308959 (E_RNA)
where:
Base-Base interactions energy: -102.037
where: short stacking energy: -52.239
Base-Backbone interact. energy: -0.157
local terms energy: -58.115164
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -110.368177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.368177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.368177 (E_RNA)
where:
Base-Base interactions energy: -55.559
where: short stacking energy: -32.369
Base-Backbone interact. energy: -0.155
local terms energy: -54.655104
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -7.063
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: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -90.203418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.203418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.203418 (E_RNA)
where:
Base-Base interactions energy: -37.283
where: short stacking energy: -37.283
Base-Backbone interact. energy: 0.579
local terms energy: -53.499627
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -157.141999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.141999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.141999 (E_RNA)
where:
Base-Base interactions energy: -104.396
where: short stacking energy: -40.571
Base-Backbone interact. energy: -0.437
local terms energy: -52.309621
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -85.328831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.328831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.328831 (E_RNA)
where:
Base-Base interactions energy: -40.184
where: short stacking energy: -28.585
Base-Backbone interact. energy: -0.132
local terms energy: -45.012612
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -8.156
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -7.123
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: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -84.792397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.792397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.792397 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -32.333
Base-Backbone interact. energy: 1.796
local terms energy: -49.632666
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -220.246533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.246533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.246533 (E_RNA)
where:
Base-Base interactions energy: -150.275
where: short stacking energy: -56.430
Base-Backbone interact. energy: -1.128
local terms energy: -68.844134
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -209.737849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.737849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.737849 (E_RNA)
where:
Base-Base interactions energy: -146.975
where: short stacking energy: -46.526
Base-Backbone interact. energy: -0.695
local terms energy: -62.068210
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -212.881621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.881621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.881621 (E_RNA)
where:
Base-Base interactions energy: -139.531
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.300
local terms energy: -73.050338
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -198.210942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.210942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.210942 (E_RNA)
where:
Base-Base interactions energy: -127.394
where: short stacking energy: -54.651
Base-Backbone interact. energy: 0.637
local terms energy: -71.454685
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -176.172593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.172593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.172593 (E_RNA)
where:
Base-Base interactions energy: -110.601
where: short stacking energy: -55.788
Base-Backbone interact. energy: -0.158
local terms energy: -65.413327
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -105.440642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.440642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.440642 (E_RNA)
where:
Base-Base interactions energy: -60.070
where: short stacking energy: -28.578
Base-Backbone interact. energy: -0.060
local terms energy: -45.310790
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -102.216421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.216421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.216421 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -33.701
Base-Backbone interact. energy: -0.173
local terms energy: -58.646407
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -123.432239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.432239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.432239 (E_RNA)
where:
Base-Base interactions energy: -72.423
where: short stacking energy: -40.842
Base-Backbone interact. energy: -0.742
local terms energy: -50.267393
where:
bonds (distance) C4'-P energy: -2.729
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -10.704
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: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -91.011789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.011789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.011789 (E_RNA)
where:
Base-Base interactions energy: -37.004
where: short stacking energy: -30.951
Base-Backbone interact. energy: -0.229
local terms energy: -53.779273
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -71.719003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.719003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.719003 (E_RNA)
where:
Base-Base interactions energy: -28.271
where: short stacking energy: -22.216
Base-Backbone interact. energy: -0.618
local terms energy: -42.829864
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -6.505
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: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -222.298957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.298957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.298957 (E_RNA)
where:
Base-Base interactions energy: -150.064
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.615
local terms energy: -71.620471
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -19.871
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: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -201.884187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.884187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.884187 (E_RNA)
where:
Base-Base interactions energy: -134.201
where: short stacking energy: -46.735
Base-Backbone interact. energy: -1.282
local terms energy: -66.401814
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -206.983663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.983663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.983663 (E_RNA)
where:
Base-Base interactions energy: -132.213
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.595
local terms energy: -74.175034
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -216.990069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.990069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.990069 (E_RNA)
where:
Base-Base interactions energy: -136.904
where: short stacking energy: -68.644
Base-Backbone interact. energy: -0.302
local terms energy: -79.783580
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -167.613232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.613232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.613232 (E_RNA)
where:
Base-Base interactions energy: -108.824
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.143
local terms energy: -58.645658
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -8.704
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -141.355621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.355621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.355621 (E_RNA)
where:
Base-Base interactions energy: -83.518
where: short stacking energy: -47.087
Base-Backbone interact. energy: -0.256
local terms energy: -57.581556
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -135.219632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.219632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.219632 (E_RNA)
where:
Base-Base interactions energy: -70.531
where: short stacking energy: -38.416
Base-Backbone interact. energy: -0.142
local terms energy: -64.546405
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -75.650819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.650819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.650819 (E_RNA)
where:
Base-Base interactions energy: -23.068
where: short stacking energy: -19.465
Base-Backbone interact. energy: 0.471
local terms energy: -53.054238
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.311
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: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -79.524876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.524876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.524876 (E_RNA)
where:
Base-Base interactions energy: -23.398
where: short stacking energy: -21.196
Base-Backbone interact. energy: -0.130
local terms energy: -55.996907
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -82.635699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.635699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.635699 (E_RNA)
where:
Base-Base interactions energy: -47.609
where: short stacking energy: -24.073
Base-Backbone interact. energy: -0.998
local terms energy: -34.028888
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -8.544
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -231.072106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.072106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.072106 (E_RNA)
where:
Base-Base interactions energy: -151.821
where: short stacking energy: -68.551
Base-Backbone interact. energy: -0.350
local terms energy: -78.900815
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -207.170966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.170966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.170966 (E_RNA)
where:
Base-Base interactions energy: -147.803
where: short stacking energy: -49.294
Base-Backbone interact. energy: -0.251
local terms energy: -59.116756
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -200.029963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.029963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.029963 (E_RNA)
where:
Base-Base interactions energy: -132.385
where: short stacking energy: -54.513
Base-Backbone interact. energy: -0.537
local terms energy: -67.107282
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -8.395
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: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -217.004660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.004660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.004660 (E_RNA)
where:
Base-Base interactions energy: -144.682
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.005
local terms energy: -72.317357
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -10.960
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: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -164.618319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.618319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.618319 (E_RNA)
where:
Base-Base interactions energy: -102.513
where: short stacking energy: -52.961
Base-Backbone interact. energy: -0.622
local terms energy: -61.483637
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -174.406173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.406173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.406173 (E_RNA)
where:
Base-Base interactions energy: -105.838
where: short stacking energy: -57.519
Base-Backbone interact. energy: -0.012
local terms energy: -68.556266
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -135.885270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.885270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.885270 (E_RNA)
where:
Base-Base interactions energy: -79.750
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.046
local terms energy: -56.089091
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -88.512744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.512744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.512744 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -34.757
Base-Backbone interact. energy: 0.414
local terms energy: -54.170155
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -90.743894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.743894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.743894 (E_RNA)
where:
Base-Base interactions energy: -43.474
where: short stacking energy: -35.077
Base-Backbone interact. energy: 1.866
local terms energy: -49.135086
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -80.312339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.312339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.312339 (E_RNA)
where:
Base-Base interactions energy: -32.449
where: short stacking energy: -20.814
Base-Backbone interact. energy: -0.160
local terms energy: -47.703368
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -231.830951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.830951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.830951 (E_RNA)
where:
Base-Base interactions energy: -153.033
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.000
local terms energy: -78.797836
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -215.688889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.688889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.688889 (E_RNA)
where:
Base-Base interactions energy: -148.443
where: short stacking energy: -54.037
Base-Backbone interact. energy: -0.097
local terms energy: -67.148405
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -218.103324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.103324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.103324 (E_RNA)
where:
Base-Base interactions energy: -140.086
where: short stacking energy: -67.481
Base-Backbone interact. energy: -2.013
local terms energy: -76.004372
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -200.731078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.731078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.731078 (E_RNA)
where:
Base-Base interactions energy: -131.852
where: short stacking energy: -57.665
Base-Backbone interact. energy: 0.079
local terms energy: -68.958081
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -201.163420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.163420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.163420 (E_RNA)
where:
Base-Base interactions energy: -134.914
where: short stacking energy: -55.764
Base-Backbone interact. energy: -0.011
local terms energy: -66.238530
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.609
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: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -169.502470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.502470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.502470 (E_RNA)
where:
Base-Base interactions energy: -99.688
where: short stacking energy: -43.523
Base-Backbone interact. energy: -0.780
local terms energy: -69.034678
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -187.181523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.181523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.181523 (E_RNA)
where:
Base-Base interactions energy: -120.271
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.610
local terms energy: -66.300144
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -5.615
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: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -92.389456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.389456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.389456 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -35.235
Base-Backbone interact. energy: -0.082
local terms energy: -57.072388
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -89.774356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.774356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.774356 (E_RNA)
where:
Base-Base interactions energy: -43.662
where: short stacking energy: -37.004
Base-Backbone interact. energy: -0.352
local terms energy: -45.761107
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -7.232
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: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -75.712932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.712932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.712932 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -29.664
Base-Backbone interact. energy: -0.114
local terms energy: -45.935037
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -224.659826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.659826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.659826 (E_RNA)
where:
Base-Base interactions energy: -144.431
where: short stacking energy: -72.885
Base-Backbone interact. energy: -0.417
local terms energy: -79.811385
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -12.809
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: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -208.539682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.539682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.539682 (E_RNA)
where:
Base-Base interactions energy: -142.238
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.069
local terms energy: -66.232326
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.615
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: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -221.779130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.779130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.779130 (E_RNA)
where:
Base-Base interactions energy: -146.673
where: short stacking energy: -73.443
Base-Backbone interact. energy: -1.036
local terms energy: -74.069596
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -197.322049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.322049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.322049 (E_RNA)
where:
Base-Base interactions energy: -128.533
where: short stacking energy: -61.412
Base-Backbone interact. energy: -0.053
local terms energy: -68.735561
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -205.779563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.779563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.779563 (E_RNA)
where:
Base-Base interactions energy: -130.106
where: short stacking energy: -64.709
Base-Backbone interact. energy: -0.250
local terms energy: -75.423734
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -181.981025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.981025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.981025 (E_RNA)
where:
Base-Base interactions energy: -132.885
where: short stacking energy: -54.071
Base-Backbone interact. energy: -0.445
local terms energy: -48.651276
where:
bonds (distance) C4'-P energy: -4.299
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -7.734
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -139.154011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.154011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.154011 (E_RNA)
where:
Base-Base interactions energy: -82.317
where: short stacking energy: -41.100
Base-Backbone interact. energy: -0.015
local terms energy: -56.821764
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -87.895267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.895267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.895267 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -27.214
Base-Backbone interact. energy: -0.015
local terms energy: -50.979600
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -79.057080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.057080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.057080 (E_RNA)
where:
Base-Base interactions energy: -29.389
where: short stacking energy: -29.389
Base-Backbone interact. energy: -0.047
local terms energy: -49.621017
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -78.554601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.554601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.554601 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -34.048
Base-Backbone interact. energy: 3.305
local terms energy: -46.482483
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -8.128
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: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -223.965490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.965490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.965490 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.062
local terms energy: -82.309614
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -210.656878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.656878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.656878 (E_RNA)
where:
Base-Base interactions energy: -148.550
where: short stacking energy: -50.310
Base-Backbone interact. energy: -0.184
local terms energy: -61.923050
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -196.100007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.100007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.100007 (E_RNA)
where:
Base-Base interactions energy: -122.202
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.009
local terms energy: -73.888431
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -213.481787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.481787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.481787 (E_RNA)
where:
Base-Base interactions energy: -138.997
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.485
local terms energy: -74.000121
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -204.570052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.570052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.570052 (E_RNA)
where:
Base-Base interactions energy: -131.016
where: short stacking energy: -59.328
Base-Backbone interact. energy: -1.063
local terms energy: -72.490997
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -194.775113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.775113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.775113 (E_RNA)
where:
Base-Base interactions energy: -135.059
where: short stacking energy: -62.783
Base-Backbone interact. energy: -0.111
local terms energy: -59.604790
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -17.253
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: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -152.894899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.894899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.894899 (E_RNA)
where:
Base-Base interactions energy: -92.814
where: short stacking energy: -44.830
Base-Backbone interact. energy: 1.172
local terms energy: -61.253269
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -86.509472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.509472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.509472 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -31.901
Base-Backbone interact. energy: -0.043
local terms energy: -54.465409
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -85.413336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.413336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.413336 (E_RNA)
where:
Base-Base interactions energy: -36.088
where: short stacking energy: -26.715
Base-Backbone interact. energy: -0.453
local terms energy: -48.873036
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -6.980
flat angles P-C4'-P energy: -11.820
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: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -71.180959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.180959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.180959 (E_RNA)
where:
Base-Base interactions energy: -27.227
where: short stacking energy: -27.226
Base-Backbone interact. energy: -0.005
local terms energy: -43.948809
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -1.535
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -223.692655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.692655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.692655 (E_RNA)
where:
Base-Base interactions energy: -151.608
where: short stacking energy: -72.913
Base-Backbone interact. energy: -1.613
local terms energy: -70.471692
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -207.961023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.961023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.961023 (E_RNA)
where:
Base-Base interactions energy: -149.696
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.251
local terms energy: -58.014352
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -9.855
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: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -198.675394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.675394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.675394 (E_RNA)
where:
Base-Base interactions energy: -129.862
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.019
local terms energy: -68.794992
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -208.657196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.657196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.657196 (E_RNA)
where:
Base-Base interactions energy: -134.309
where: short stacking energy: -53.413
Base-Backbone interact. energy: 0.329
local terms energy: -74.677554
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -210.250838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.250838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.250838 (E_RNA)
where:
Base-Base interactions energy: -142.521
where: short stacking energy: -64.666
Base-Backbone interact. energy: -0.045
local terms energy: -67.684862
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.974
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: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -187.832795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.832795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.832795 (E_RNA)
where:
Base-Base interactions energy: -128.939
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.023
local terms energy: -58.870765
where:
bonds (distance) C4'-P energy: -7.884
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -169.202275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.202275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.202275 (E_RNA)
where:
Base-Base interactions energy: -110.354
where: short stacking energy: -57.939
Base-Backbone interact. energy: 0.086
local terms energy: -58.934011
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -80.908107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908107 (E_RNA)
where:
Base-Base interactions energy: -27.196
where: short stacking energy: -17.675
Base-Backbone interact. energy: -0.248
local terms energy: -53.463766
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -7.974
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: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -88.034971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.034971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.034971 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.031
local terms energy: -55.487275
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -85.399982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.399982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.399982 (E_RNA)
where:
Base-Base interactions energy: -33.046
where: short stacking energy: -29.340
Base-Backbone interact. energy: -0.260
local terms energy: -52.093720
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -9.703
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: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -225.185842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.185842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.185842 (E_RNA)
where:
Base-Base interactions energy: -147.709
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.294
local terms energy: -77.183319
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -8.821
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: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -203.487220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.487220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.487220 (E_RNA)
where:
Base-Base interactions energy: -137.938
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.154
local terms energy: -65.394894
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -12.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -212.200410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.200410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.200410 (E_RNA)
where:
Base-Base interactions energy: -140.024
where: short stacking energy: -67.140
Base-Backbone interact. energy: 2.311
local terms energy: -74.487122
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -209.110098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.110098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.110098 (E_RNA)
where:
Base-Base interactions energy: -142.045
where: short stacking energy: -58.565
Base-Backbone interact. energy: -0.004
local terms energy: -67.060833
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -199.044316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.044316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.044316 (E_RNA)
where:
Base-Base interactions energy: -131.911
where: short stacking energy: -61.298
Base-Backbone interact. energy: 0.933
local terms energy: -68.065507
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -211.338297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.338297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.338297 (E_RNA)
where:
Base-Base interactions energy: -135.440
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.734
local terms energy: -75.163953
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -143.089122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.089122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.089122 (E_RNA)
where:
Base-Base interactions energy: -85.374
where: short stacking energy: -45.030
Base-Backbone interact. energy: 0.156
local terms energy: -57.871739
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -80.653266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.653266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.653266 (E_RNA)
where:
Base-Base interactions energy: -39.356
where: short stacking energy: -38.417
Base-Backbone interact. energy: -0.524
local terms energy: -40.773261
where:
bonds (distance) C4'-P energy: -5.538
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -76.740000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.740000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.740000 (E_RNA)
where:
Base-Base interactions energy: -26.327
where: short stacking energy: -19.124
Base-Backbone interact. energy: -0.214
local terms energy: -50.198306
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -68.683102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.683102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.683102 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -19.682
Base-Backbone interact. energy: 0.753
local terms energy: -38.319145
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -5.629
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: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -220.528684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.528684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.528684 (E_RNA)
where:
Base-Base interactions energy: -147.725
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.156
local terms energy: -72.647468
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -19.680
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: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -223.522682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.522682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.522682 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -63.872
Base-Backbone interact. energy: -0.747
local terms energy: -79.751578
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -203.889621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.889621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.889621 (E_RNA)
where:
Base-Base interactions energy: -135.669
where: short stacking energy: -54.308
Base-Backbone interact. energy: -0.198
local terms energy: -68.022854
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -209.721147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.721147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.721147 (E_RNA)
where:
Base-Base interactions energy: -136.865
where: short stacking energy: -64.776
Base-Backbone interact. energy: 0.082
local terms energy: -72.937478
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -17.712
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: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -209.119887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.119887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.119887 (E_RNA)
where:
Base-Base interactions energy: -136.926
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.575
local terms energy: -71.618537
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -18.916
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: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -149.579839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.579839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.579839 (E_RNA)
where:
Base-Base interactions energy: -96.338
where: short stacking energy: -53.792
Base-Backbone interact. energy: 0.339
local terms energy: -53.581529
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -7.686
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: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -180.448516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.448516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.448516 (E_RNA)
where:
Base-Base interactions energy: -112.833
where: short stacking energy: -51.902
Base-Backbone interact. energy: -0.017
local terms energy: -67.597967
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -7.780
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: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -76.361451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.361451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.361451 (E_RNA)
where:
Base-Base interactions energy: -41.683
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.496
local terms energy: -34.181777
where:
bonds (distance) C4'-P energy: -1.620
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: 3.184
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: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -89.267350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.267350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.267350 (E_RNA)
where:
Base-Base interactions energy: -36.276
where: short stacking energy: -24.241
Base-Backbone interact. energy: -0.727
local terms energy: -52.264503
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -0.449
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: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -79.615353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.615353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.615353 (E_RNA)
where:
Base-Base interactions energy: -35.146
where: short stacking energy: -35.146
Base-Backbone interact. energy: -0.004
local terms energy: -44.466216
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -2.468
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -228.185920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.185920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.185920 (E_RNA)
where:
Base-Base interactions energy: -151.738
where: short stacking energy: -76.522
Base-Backbone interact. energy: -0.000
local terms energy: -76.447348
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -215.765738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.765738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.765738 (E_RNA)
where:
Base-Base interactions energy: -140.330
where: short stacking energy: -61.164
Base-Backbone interact. energy: -2.578
local terms energy: -72.857799
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -219.924763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.924763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.924763 (E_RNA)
where:
Base-Base interactions energy: -144.322
where: short stacking energy: -70.659
Base-Backbone interact. energy: -0.013
local terms energy: -75.589578
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -17.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -208.463237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.463237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.463237 (E_RNA)
where:
Base-Base interactions energy: -147.301
where: short stacking energy: -60.155
Base-Backbone interact. energy: -0.015
local terms energy: -61.147329
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -8.561
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: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -204.160487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.160487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.160487 (E_RNA)
where:
Base-Base interactions energy: -132.820
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.057
local terms energy: -71.283440
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -148.789938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.789938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.789938 (E_RNA)
where:
Base-Base interactions energy: -89.873
where: short stacking energy: -45.294
Base-Backbone interact. energy: -0.947
local terms energy: -57.970218
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -182.894395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.894395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.894395 (E_RNA)
where:
Base-Base interactions energy: -125.661
where: short stacking energy: -55.051
Base-Backbone interact. energy: -0.002
local terms energy: -57.231772
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -87.260771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.260771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.260771 (E_RNA)
where:
Base-Base interactions energy: -26.800
where: short stacking energy: -26.498
Base-Backbone interact. energy: -0.196
local terms energy: -60.264119
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -79.454256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454256 (E_RNA)
where:
Base-Base interactions energy: -27.577
where: short stacking energy: -27.577
Base-Backbone interact. energy: -0.221
local terms energy: -51.656843
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -4.766
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: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -82.362327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.362327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.362327 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.430
local terms energy: -51.795766
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -8.713
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: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -219.661606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.661606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.661606 (E_RNA)
where:
Base-Base interactions energy: -146.589
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.003
local terms energy: -73.069703
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -224.088910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.088910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.088910 (E_RNA)
where:
Base-Base interactions energy: -143.610
where: short stacking energy: -69.473
Base-Backbone interact. energy: -1.338
local terms energy: -79.140325
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -11.784
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: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -203.581515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.581515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.581515 (E_RNA)
where:
Base-Base interactions energy: -141.171
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.119
local terms energy: -62.291259
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -13.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -193.099106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.099106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.099106 (E_RNA)
where:
Base-Base interactions energy: -132.934
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.276
local terms energy: -59.888660
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -14.498
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: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -192.610979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.610979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.610979 (E_RNA)
where:
Base-Base interactions energy: -119.829
where: short stacking energy: -59.738
Base-Backbone interact. energy: -0.417
local terms energy: -72.364739
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -196.577661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.577661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.577661 (E_RNA)
where:
Base-Base interactions energy: -136.320
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.344
local terms energy: -59.913245
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -2.159
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -154.016680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.016680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.016680 (E_RNA)
where:
Base-Base interactions energy: -85.954
where: short stacking energy: -40.129
Base-Backbone interact. energy: -0.073
local terms energy: -67.990357
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -93.448141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.448141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.448141 (E_RNA)
where:
Base-Base interactions energy: -43.735
where: short stacking energy: -28.687
Base-Backbone interact. energy: 0.530
local terms energy: -50.243393
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -88.688349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.688349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.688349 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -34.159
Base-Backbone interact. energy: -0.903
local terms energy: -44.069768
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -7.170
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: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -89.226809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.226809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.226809 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -37.505
Base-Backbone interact. energy: -0.718
local terms energy: -51.003685
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -3.493
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: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -235.287308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.287308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.287308 (E_RNA)
where:
Base-Base interactions energy: -150.548
where: short stacking energy: -74.217
Base-Backbone interact. energy: -0.246
local terms energy: -84.493245
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -12.151
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: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -220.961488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.961488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.961488 (E_RNA)
where:
Base-Base interactions energy: -146.343
where: short stacking energy: -71.367
Base-Backbone interact. energy: -0.083
local terms energy: -74.535943
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -194.330359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.330359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.330359 (E_RNA)
where:
Base-Base interactions energy: -128.429
where: short stacking energy: -45.728
Base-Backbone interact. energy: -0.582
local terms energy: -65.319110
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -9.557
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: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -203.072220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.072220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.072220 (E_RNA)
where:
Base-Base interactions energy: -137.201
where: short stacking energy: -58.911
Base-Backbone interact. energy: -0.370
local terms energy: -65.501502
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -204.010129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.010129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.010129 (E_RNA)
where:
Base-Base interactions energy: -132.987
where: short stacking energy: -55.479
Base-Backbone interact. energy: -0.099
local terms energy: -70.924381
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -190.131486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.131486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.131486 (E_RNA)
where:
Base-Base interactions energy: -121.682
where: short stacking energy: -53.106
Base-Backbone interact. energy: -0.043
local terms energy: -68.406620
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -15.690
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: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -150.695184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.695184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.695184 (E_RNA)
where:
Base-Base interactions energy: -90.851
where: short stacking energy: -45.090
Base-Backbone interact. energy: 0.664
local terms energy: -60.508011
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -99.855210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.855210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.855210 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -37.741
Base-Backbone interact. energy: -0.533
local terms energy: -59.837401
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -88.606976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.606976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.606976 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -26.915
Base-Backbone interact. energy: -0.148
local terms energy: -49.292626
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -73.022742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.022742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.022742 (E_RNA)
where:
Base-Base interactions energy: -26.059
where: short stacking energy: -23.010
Base-Backbone interact. energy: -0.252
local terms energy: -46.711691
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -221.789956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.789956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789956 (E_RNA)
where:
Base-Base interactions energy: -138.226
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.028
local terms energy: -83.536228
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -201.179805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.179805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.179805 (E_RNA)
where:
Base-Base interactions energy: -139.114
where: short stacking energy: -50.417
Base-Backbone interact. energy: -0.313
local terms energy: -61.752314
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -6.242
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: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -214.987809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.987809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.987809 (E_RNA)
where:
Base-Base interactions energy: -139.400
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.048
local terms energy: -75.540044
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -206.643696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.643696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.643696 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.346
local terms energy: -67.731037
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -6.545
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: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -194.294146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.294146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.294146 (E_RNA)
where:
Base-Base interactions energy: -130.343
where: short stacking energy: -42.317
Base-Backbone interact. energy: -1.317
local terms energy: -62.634475
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -11.173
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: 395
Temperature: 1.150000
Total energy: -202.930619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.930619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.930619 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -57.425
Base-Backbone interact. energy: -0.213
local terms energy: -61.999392
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -16.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -157.807112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.807112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.807112 (E_RNA)
where:
Base-Base interactions energy: -88.421
where: short stacking energy: -46.611
Base-Backbone interact. energy: -0.125
local terms energy: -69.261342
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.174
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: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -83.033590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.033590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.033590 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.105
local terms energy: -49.977973
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -4.441
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -85.511306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.511306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.511306 (E_RNA)
where:
Base-Base interactions energy: -29.993
where: short stacking energy: -29.648
Base-Backbone interact. energy: 0.491
local terms energy: -56.009323
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -83.108197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.108197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.108197 (E_RNA)
where:
Base-Base interactions energy: -36.898
where: short stacking energy: -17.762
Base-Backbone interact. energy: -0.360
local terms energy: -45.850819
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: 2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -223.287900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.287900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.287900 (E_RNA)
where:
Base-Base interactions energy: -142.899
where: short stacking energy: -65.201
Base-Backbone interact. energy: -0.296
local terms energy: -80.092887
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -18.750
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: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -197.477761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.477761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.477761 (E_RNA)
where:
Base-Base interactions energy: -142.605
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.947
local terms energy: -53.925131
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -5.521
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: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -219.000007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.000007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.000007 (E_RNA)
where:
Base-Base interactions energy: -139.755
where: short stacking energy: -64.209
Base-Backbone interact. energy: -0.229
local terms energy: -79.015832
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -202.523216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.523216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.523216 (E_RNA)
where:
Base-Base interactions energy: -132.320
where: short stacking energy: -52.078
Base-Backbone interact. energy: 0.141
local terms energy: -70.344168
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -207.458104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.458104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.458104 (E_RNA)
where:
Base-Base interactions energy: -138.872
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.748
local terms energy: -67.837856
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -196.873141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.873141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.873141 (E_RNA)
where:
Base-Base interactions energy: -130.399
where: short stacking energy: -51.478
Base-Backbone interact. energy: -0.054
local terms energy: -66.419711
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -13.560
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: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -149.104900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.104900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.104900 (E_RNA)
where:
Base-Base interactions energy: -86.185
where: short stacking energy: -44.020
Base-Backbone interact. energy: -0.547
local terms energy: -62.372835
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -9.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -98.969846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969846 (E_RNA)
where:
Base-Base interactions energy: -42.391
where: short stacking energy: -33.513
Base-Backbone interact. energy: -0.192
local terms energy: -56.386615
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -7.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -85.335448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.335448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.335448 (E_RNA)
where:
Base-Base interactions energy: -45.943
where: short stacking energy: -34.281
Base-Backbone interact. energy: 1.250
local terms energy: -40.642372
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -92.243456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.243456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.243456 (E_RNA)
where:
Base-Base interactions energy: -46.698
where: short stacking energy: -24.813
Base-Backbone interact. energy: -0.074
local terms energy: -45.470924
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: 1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -222.199433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.199433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.199433 (E_RNA)
where:
Base-Base interactions energy: -144.354
where: short stacking energy: -67.835
Base-Backbone interact. energy: -0.016
local terms energy: -77.829807
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -203.041920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.041920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.041920 (E_RNA)
where:
Base-Base interactions energy: -133.381
where: short stacking energy: -49.734
Base-Backbone interact. energy: 0.528
local terms energy: -70.189430
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -194.268802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.268802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.268802 (E_RNA)
where:
Base-Base interactions energy: -132.680
where: short stacking energy: -44.345
Base-Backbone interact. energy: -1.307
local terms energy: -60.281295
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -198.338605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.338605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.338605 (E_RNA)
where:
Base-Base interactions energy: -132.125
where: short stacking energy: -52.117
Base-Backbone interact. energy: -1.026
local terms energy: -65.188305
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -204.201428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.201428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.201428 (E_RNA)
where:
Base-Base interactions energy: -133.986
where: short stacking energy: -50.078
Base-Backbone interact. energy: -1.509
local terms energy: -68.706783
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -178.488685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.488685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.488685 (E_RNA)
where:
Base-Base interactions energy: -127.742
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.044
local terms energy: -50.702360
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -5.554
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -9.173
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: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -136.402374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.402374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.402374 (E_RNA)
where:
Base-Base interactions energy: -75.441
where: short stacking energy: -31.878
Base-Backbone interact. energy: -1.767
local terms energy: -59.194121
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -87.061610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.061610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.061610 (E_RNA)
where:
Base-Base interactions energy: -41.908
where: short stacking energy: -22.699
Base-Backbone interact. energy: -0.604
local terms energy: -44.549117
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: 0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -77.431861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.431861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.431861 (E_RNA)
where:
Base-Base interactions energy: -27.023
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.049
local terms energy: -50.359742
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -4.833
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: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -83.266254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.266254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.266254 (E_RNA)
where:
Base-Base interactions energy: -31.374
where: short stacking energy: -31.374
Base-Backbone interact. energy: -0.318
local terms energy: -51.573987
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -9.070
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -225.210114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.210114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.210114 (E_RNA)
where:
Base-Base interactions energy: -153.177
where: short stacking energy: -74.404
Base-Backbone interact. energy: -0.060
local terms energy: -71.973318
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -219.146754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146754 (E_RNA)
where:
Base-Base interactions energy: -148.549
where: short stacking energy: -57.478
Base-Backbone interact. energy: -0.742
local terms energy: -69.855863
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -210.796279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.796279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.796279 (E_RNA)
where:
Base-Base interactions energy: -137.840
where: short stacking energy: -55.566
Base-Backbone interact. energy: -1.351
local terms energy: -71.604912
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -19.679
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: 4, replica: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -196.766604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.766604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.766604 (E_RNA)
where:
Base-Base interactions energy: -138.388
where: short stacking energy: -44.840
Base-Backbone interact. energy: -0.201
local terms energy: -58.177404
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -203.050272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.050272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.050272 (E_RNA)
where:
Base-Base interactions energy: -133.212
where: short stacking energy: -57.841
Base-Backbone interact. energy: -0.793
local terms energy: -69.044829
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -179.595653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.595653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.595653 (E_RNA)
where:
Base-Base interactions energy: -125.349
where: short stacking energy: -58.918
Base-Backbone interact. energy: -0.006
local terms energy: -54.239820
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -133.438215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.438215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.438215 (E_RNA)
where:
Base-Base interactions energy: -77.843
where: short stacking energy: -39.278
Base-Backbone interact. energy: -0.900
local terms energy: -54.694831
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -96.405684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.405684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.405684 (E_RNA)
where:
Base-Base interactions energy: -29.492
where: short stacking energy: -30.092
Base-Backbone interact. energy: -0.060
local terms energy: -66.854116
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -84.246659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.246659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.246659 (E_RNA)
where:
Base-Base interactions energy: -27.057
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.043
local terms energy: -57.146586
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -6.900
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: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -77.827347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.827347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.827347 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -22.861
Base-Backbone interact. energy: -0.030
local terms energy: -54.088426
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -225.762185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.762185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.762185 (E_RNA)
where:
Base-Base interactions energy: -153.602
where: short stacking energy: -81.141
Base-Backbone interact. energy: -0.015
local terms energy: -72.144996
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -7.728
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -22.630
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: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -217.977597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.977597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.977597 (E_RNA)
where:
Base-Base interactions energy: -146.023
where: short stacking energy: -57.703
Base-Backbone interact. energy: -1.026
local terms energy: -70.928689
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.836
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: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -210.695122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.695122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.695122 (E_RNA)
where:
Base-Base interactions energy: -145.384
where: short stacking energy: -50.995
Base-Backbone interact. energy: -1.074
local terms energy: -64.237123
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -216.967092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.967092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.967092 (E_RNA)
where:
Base-Base interactions energy: -141.830
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.253
local terms energy: -74.884094
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -200.328879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.328879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.328879 (E_RNA)
where:
Base-Base interactions energy: -133.528
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.110
local terms energy: -66.690745
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.872
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: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -167.922763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.922763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.922763 (E_RNA)
where:
Base-Base interactions energy: -110.844
where: short stacking energy: -38.969
Base-Backbone interact. energy: 1.459
local terms energy: -58.537462
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -125.010050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.010050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.010050 (E_RNA)
where:
Base-Base interactions energy: -78.454
where: short stacking energy: -26.226
Base-Backbone interact. energy: -0.062
local terms energy: -46.494676
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -80.492677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.492677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.492677 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -29.839
Base-Backbone interact. energy: 0.082
local terms energy: -40.959540
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -5.569
flat angles P-C4'-P energy: -4.788
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: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -86.634547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.634547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.634547 (E_RNA)
where:
Base-Base interactions energy: -46.468
where: short stacking energy: -23.944
Base-Backbone interact. energy: -0.996
local terms energy: -39.171174
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: 0.505
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -99.103503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.103503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.103503 (E_RNA)
where:
Base-Base interactions energy: -45.516
where: short stacking energy: -21.488
Base-Backbone interact. energy: -0.284
local terms energy: -53.304247
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -224.137080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.137080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.137080 (E_RNA)
where:
Base-Base interactions energy: -142.189
where: short stacking energy: -71.276
Base-Backbone interact. energy: -0.932
local terms energy: -81.016123
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -23.462
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: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -224.732050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.732050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.732050 (E_RNA)
where:
Base-Base interactions energy: -146.746
where: short stacking energy: -75.199
Base-Backbone interact. energy: -0.095
local terms energy: -77.890629
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -209.414077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.414077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.414077 (E_RNA)
where:
Base-Base interactions energy: -142.744
where: short stacking energy: -53.839
Base-Backbone interact. energy: -1.621
local terms energy: -65.049063
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -207.958252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.958252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.958252 (E_RNA)
where:
Base-Base interactions energy: -132.673
where: short stacking energy: -60.346
Base-Backbone interact. energy: -0.158
local terms energy: -75.127600
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -17.471
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: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -178.661512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.661512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.661512 (E_RNA)
where:
Base-Base interactions energy: -119.158
where: short stacking energy: -39.686
Base-Backbone interact. energy: -0.836
local terms energy: -58.666757
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -188.925939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.925939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.925939 (E_RNA)
where:
Base-Base interactions energy: -121.358
where: short stacking energy: -57.467
Base-Backbone interact. energy: -0.052
local terms energy: -67.516137
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -7.273
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: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -143.212398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.212398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.212398 (E_RNA)
where:
Base-Base interactions energy: -94.002
where: short stacking energy: -43.392
Base-Backbone interact. energy: -0.058
local terms energy: -49.152508
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -86.538058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.538058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.538058 (E_RNA)
where:
Base-Base interactions energy: -33.790
where: short stacking energy: -33.689
Base-Backbone interact. energy: -0.114
local terms energy: -52.634537
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -83.777688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.777688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.777688 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -29.002
Base-Backbone interact. energy: -1.034
local terms energy: -46.299745
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -72.696004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.696004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.696004 (E_RNA)
where:
Base-Base interactions energy: -28.903
where: short stacking energy: -19.030
Base-Backbone interact. energy: -0.416
local terms energy: -43.377010
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -231.121575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.121575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.121575 (E_RNA)
where:
Base-Base interactions energy: -150.807
where: short stacking energy: -73.769
Base-Backbone interact. energy: -0.127
local terms energy: -80.188019
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -215.001617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.001617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.001617 (E_RNA)
where:
Base-Base interactions energy: -141.103
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.098
local terms energy: -73.800318
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -214.533791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.533791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.533791 (E_RNA)
where:
Base-Base interactions energy: -144.901
where: short stacking energy: -58.851
Base-Backbone interact. energy: 0.270
local terms energy: -69.902217
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -15.136
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: 401
Temperature: 1.050000
Total energy: -213.258275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258275 (E_RNA)
where:
Base-Base interactions energy: -137.908
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.002
local terms energy: -75.348702
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -21.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -167.599417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.599417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.599417 (E_RNA)
where:
Base-Base interactions energy: -105.290
where: short stacking energy: -52.224
Base-Backbone interact. energy: -1.138
local terms energy: -61.171759
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -6.299
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: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -150.036630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.036630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.036630 (E_RNA)
where:
Base-Base interactions energy: -92.924
where: short stacking energy: -46.092
Base-Backbone interact. energy: 1.078
local terms energy: -58.190570
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -186.937293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.937293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.937293 (E_RNA)
where:
Base-Base interactions energy: -122.546
where: short stacking energy: -58.281
Base-Backbone interact. energy: -0.496
local terms energy: -63.894518
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -100.505750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.505750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.505750 (E_RNA)
where:
Base-Base interactions energy: -43.382
where: short stacking energy: -43.382
Base-Backbone interact. energy: -0.062
local terms energy: -57.061306
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -82.465184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.465184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.465184 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -23.777
Base-Backbone interact. energy: -0.033
local terms energy: -52.038187
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -0.882
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: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -73.172326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.172326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.172326 (E_RNA)
where:
Base-Base interactions energy: -27.115
where: short stacking energy: -27.115
Base-Backbone interact. energy: -0.190
local terms energy: -45.867259
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -225.940772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.940772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.940772 (E_RNA)
where:
Base-Base interactions energy: -153.710
where: short stacking energy: -66.422
Base-Backbone interact. energy: -0.101
local terms energy: -72.130283
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -224.246261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.246261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.246261 (E_RNA)
where:
Base-Base interactions energy: -154.311
where: short stacking energy: -71.903
Base-Backbone interact. energy: -0.000
local terms energy: -69.935030
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -11.516
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: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -205.747483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.747483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.747483 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -59.117
Base-Backbone interact. energy: -0.641
local terms energy: -63.514914
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -207.193423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.193423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.193423 (E_RNA)
where:
Base-Base interactions energy: -142.327
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.072
local terms energy: -64.794248
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -8.857
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: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -191.713940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.713940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.713940 (E_RNA)
where:
Base-Base interactions energy: -122.624
where: short stacking energy: -50.504
Base-Backbone interact. energy: -0.039
local terms energy: -69.051510
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -164.405091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.405091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.405091 (E_RNA)
where:
Base-Base interactions energy: -93.144
where: short stacking energy: -53.613
Base-Backbone interact. energy: 0.706
local terms energy: -71.966982
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -12.845
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -180.468099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.468099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.468099 (E_RNA)
where:
Base-Base interactions energy: -115.677
where: short stacking energy: -52.595
Base-Backbone interact. energy: -0.027
local terms energy: -64.764017
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -14.976
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: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -81.790476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.790476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.790476 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -34.819
Base-Backbone interact. energy: -0.265
local terms energy: -45.320315
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -6.925
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -81.012603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.012603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.012603 (E_RNA)
where:
Base-Base interactions energy: -37.426
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.007
local terms energy: -43.580263
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -9.021
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: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -92.970105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.970105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.970105 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -36.021
Base-Backbone interact. energy: -0.541
local terms energy: -55.487417
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -225.373112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.373112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.373112 (E_RNA)
where:
Base-Base interactions energy: -142.817
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.173
local terms energy: -82.382415
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -214.169031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.169031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.169031 (E_RNA)
where:
Base-Base interactions energy: -143.645
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.783
local terms energy: -69.740690
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -215.050355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.050355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.050355 (E_RNA)
where:
Base-Base interactions energy: -140.048
where: short stacking energy: -57.608
Base-Backbone interact. energy: -1.691
local terms energy: -73.311057
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -201.568601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.568601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.568601 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -55.827
Base-Backbone interact. energy: -1.540
local terms energy: -71.947407
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -200.063878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.063878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.063878 (E_RNA)
where:
Base-Base interactions energy: -134.129
where: short stacking energy: -54.771
Base-Backbone interact. energy: -0.115
local terms energy: -65.819285
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -182.485606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.485606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.485606 (E_RNA)
where:
Base-Base interactions energy: -119.199
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.007
local terms energy: -63.279024
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -142.284308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.284308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.284308 (E_RNA)
where:
Base-Base interactions energy: -90.216
where: short stacking energy: -44.179
Base-Backbone interact. energy: -0.230
local terms energy: -51.838866
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -9.783
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -10.480
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: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -87.891480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.891480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.891480 (E_RNA)
where:
Base-Base interactions energy: -37.111
where: short stacking energy: -37.111
Base-Backbone interact. energy: -0.193
local terms energy: -50.588126
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -107.167722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.167722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.167722 (E_RNA)
where:
Base-Base interactions energy: -60.950
where: short stacking energy: -35.656
Base-Backbone interact. energy: -1.000
local terms energy: -45.218562
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -8.235
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -89.770578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.770578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.770578 (E_RNA)
where:
Base-Base interactions energy: -43.064
where: short stacking energy: -39.192
Base-Backbone interact. energy: -0.063
local terms energy: -46.643824
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -226.829035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.829035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.829035 (E_RNA)
where:
Base-Base interactions energy: -141.082
where: short stacking energy: -69.854
Base-Backbone interact. energy: -1.187
local terms energy: -84.560149
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -213.752910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.752910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.752910 (E_RNA)
where:
Base-Base interactions energy: -138.668
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.007
local terms energy: -75.078173
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -209.518758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.518758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.518758 (E_RNA)
where:
Base-Base interactions energy: -136.744
where: short stacking energy: -49.874
Base-Backbone interact. energy: -0.169
local terms energy: -72.605729
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.767
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -213.429321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.429321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.429321 (E_RNA)
where:
Base-Base interactions energy: -133.564
where: short stacking energy: -62.506
Base-Backbone interact. energy: -0.910
local terms energy: -78.955512
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -14.463
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: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -200.188428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.188428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.188428 (E_RNA)
where:
Base-Base interactions energy: -130.063
where: short stacking energy: -57.487
Base-Backbone interact. energy: 1.073
local terms energy: -71.198174
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -203.154590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.154590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.154590 (E_RNA)
where:
Base-Base interactions energy: -130.225
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.041
local terms energy: -72.888425
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -7.321
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: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -99.533113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.533113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.533113 (E_RNA)
where:
Base-Base interactions energy: -44.643
where: short stacking energy: -44.536
Base-Backbone interact. energy: 0.045
local terms energy: -54.934484
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -8.857
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: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -84.425381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.425381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.425381 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -27.197
Base-Backbone interact. energy: 1.015
local terms energy: -49.640475
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -7.173
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: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -85.568880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.568880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.568880 (E_RNA)
where:
Base-Base interactions energy: -45.537
where: short stacking energy: -21.956
Base-Backbone interact. energy: 0.837
local terms energy: -40.869052
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: 1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -76.401594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.401594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.401594 (E_RNA)
where:
Base-Base interactions energy: -24.853
where: short stacking energy: -21.330
Base-Backbone interact. energy: -0.447
local terms energy: -51.100825
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: 4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -219.802422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.802422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.802422 (E_RNA)
where:
Base-Base interactions energy: -141.566
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.015
local terms energy: -78.221022
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -223.117589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.117589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.117589 (E_RNA)
where:
Base-Base interactions energy: -146.244
where: short stacking energy: -71.315
Base-Backbone interact. energy: 0.398
local terms energy: -77.271139
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -212.511887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.511887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.511887 (E_RNA)
where:
Base-Base interactions energy: -140.727
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.263
local terms energy: -71.521835
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -215.259697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.259697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.259697 (E_RNA)
where:
Base-Base interactions energy: -144.802
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.189
local terms energy: -70.269058
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -9.668
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: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -195.939992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.939992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.939992 (E_RNA)
where:
Base-Base interactions energy: -124.650
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.043
local terms energy: -71.247012
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -190.261425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.261425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.261425 (E_RNA)
where:
Base-Base interactions energy: -127.479
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.251
local terms energy: -62.531228
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -102.632374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.632374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.632374 (E_RNA)
where:
Base-Base interactions energy: -46.386
where: short stacking energy: -41.251
Base-Backbone interact. energy: -0.136
local terms energy: -56.111078
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -86.818790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.818790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.818790 (E_RNA)
where:
Base-Base interactions energy: -38.339
where: short stacking energy: -29.281
Base-Backbone interact. energy: -0.544
local terms energy: -47.934984
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -83.312977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.312977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.312977 (E_RNA)
where:
Base-Base interactions energy: -30.980
where: short stacking energy: -21.822
Base-Backbone interact. energy: -0.639
local terms energy: -51.693551
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -81.736441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.736441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.736441 (E_RNA)
where:
Base-Base interactions energy: -26.349
where: short stacking energy: -24.302
Base-Backbone interact. energy: 1.519
local terms energy: -56.906551
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -9.351
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: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -224.696179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.696179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.696179 (E_RNA)
where:
Base-Base interactions energy: -142.118
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.404
local terms energy: -82.174175
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -21.689
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: 406
Temperature: 0.950000
Total energy: -217.607738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.607738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.607738 (E_RNA)
where:
Base-Base interactions energy: -143.584
where: short stacking energy: -61.955
Base-Backbone interact. energy: -0.788
local terms energy: -73.235979
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -219.173794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.173794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.173794 (E_RNA)
where:
Base-Base interactions energy: -145.200
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.003
local terms energy: -73.970993
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -216.034892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.034892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.034892 (E_RNA)
where:
Base-Base interactions energy: -140.145
where: short stacking energy: -74.628
Base-Backbone interact. energy: -0.139
local terms energy: -75.750961
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -216.423153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.423153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.423153 (E_RNA)
where:
Base-Base interactions energy: -142.018
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.103
local terms energy: -74.302518
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -23.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -185.753633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.753633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.753633 (E_RNA)
where:
Base-Base interactions energy: -122.710
where: short stacking energy: -52.724
Base-Backbone interact. energy: 0.231
local terms energy: -63.274971
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -89.347841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.347841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.347841 (E_RNA)
where:
Base-Base interactions energy: -44.736
where: short stacking energy: -30.692
Base-Backbone interact. energy: -0.194
local terms energy: -44.418306
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -8.001
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -84.306878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.306878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.306878 (E_RNA)
where:
Base-Base interactions energy: -30.509
where: short stacking energy: -29.842
Base-Backbone interact. energy: -0.584
local terms energy: -53.213264
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -12.426
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: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -81.567401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.567401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.567401 (E_RNA)
where:
Base-Base interactions energy: -26.703
where: short stacking energy: -26.703
Base-Backbone interact. energy: -0.065
local terms energy: -54.798732
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -105.927824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.927824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.927824 (E_RNA)
where:
Base-Base interactions energy: -57.248
where: short stacking energy: -30.401
Base-Backbone interact. energy: 0.023
local terms energy: -48.703505
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -5.949
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -223.213278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.213278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.213278 (E_RNA)
where:
Base-Base interactions energy: -145.344
where: short stacking energy: -72.857
Base-Backbone interact. energy: -0.587
local terms energy: -77.281896
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -218.115384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.115384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.115384 (E_RNA)
where:
Base-Base interactions energy: -145.505
where: short stacking energy: -71.850
Base-Backbone interact. energy: -0.334
local terms energy: -72.276515
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -211.610668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.610668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.610668 (E_RNA)
where:
Base-Base interactions energy: -138.946
where: short stacking energy: -61.003
Base-Backbone interact. energy: -1.906
local terms energy: -70.758763
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -213.108277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.108277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.108277 (E_RNA)
where:
Base-Base interactions energy: -133.344
where: short stacking energy: -68.226
Base-Backbone interact. energy: -0.029
local terms energy: -79.735538
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -204.208776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.208776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.208776 (E_RNA)
where:
Base-Base interactions energy: -132.802
where: short stacking energy: -57.842
Base-Backbone interact. energy: -1.165
local terms energy: -70.241309
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -17.881
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: 407
Temperature: 1.150000
Total energy: -187.777155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.777155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.777155 (E_RNA)
where:
Base-Base interactions energy: -120.794
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.113
local terms energy: -66.870386
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -84.294896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.294896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.294896 (E_RNA)
where:
Base-Base interactions energy: -28.020
where: short stacking energy: -27.891
Base-Backbone interact. energy: -0.741
local terms energy: -55.534077
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -10.027
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: 407
Temperature: 1.250000
Total energy: -90.392033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.392033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.392033 (E_RNA)
where:
Base-Base interactions energy: -36.168
where: short stacking energy: -34.509
Base-Backbone interact. energy: -0.041
local terms energy: -54.182989
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -7.259
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: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -75.459681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.459681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.459681 (E_RNA)
where:
Base-Base interactions energy: -19.194
where: short stacking energy: -19.194
Base-Backbone interact. energy: -0.210
local terms energy: -56.055417
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -109.112589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.112589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.112589 (E_RNA)
where:
Base-Base interactions energy: -56.090
where: short stacking energy: -30.380
Base-Backbone interact. energy: -0.069
local terms energy: -52.952813
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -222.705472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.705472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.705472 (E_RNA)
where:
Base-Base interactions energy: -145.556
where: short stacking energy: -71.271
Base-Backbone interact. energy: -0.701
local terms energy: -76.448512
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -22.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -223.383205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.383205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.383205 (E_RNA)
where:
Base-Base interactions energy: -139.447
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.000
local terms energy: -83.936623
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -23.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -222.701999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.701999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.701999 (E_RNA)
where:
Base-Base interactions energy: -146.211
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.596
local terms energy: -75.894870
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -205.636242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.636242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.636242 (E_RNA)
where:
Base-Base interactions energy: -136.837
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.085
local terms energy: -68.713826
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -18.945
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: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -182.542413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.542413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.542413 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.071
local terms energy: -68.821403
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -197.180249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.180249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.180249 (E_RNA)
where:
Base-Base interactions energy: -130.036
where: short stacking energy: -61.244
Base-Backbone interact. energy: -0.086
local terms energy: -67.058013
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -157.435810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.435810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.435810 (E_RNA)
where:
Base-Base interactions energy: -88.205
where: short stacking energy: -51.877
Base-Backbone interact. energy: -0.093
local terms energy: -69.138006
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -7.785
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: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -83.279480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.279480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.279480 (E_RNA)
where:
Base-Base interactions energy: -26.668
where: short stacking energy: -26.668
Base-Backbone interact. energy: -0.176
local terms energy: -56.434949
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -89.523985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.523985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.523985 (E_RNA)
where:
Base-Base interactions energy: -43.163
where: short stacking energy: -23.355
Base-Backbone interact. energy: -0.021
local terms energy: -46.339794
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -84.076695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.076695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.076695 (E_RNA)
where:
Base-Base interactions energy: -31.147
where: short stacking energy: -31.147
Base-Backbone interact. energy: 0.233
local terms energy: -53.162650
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.005
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: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -226.886537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.886537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.886537 (E_RNA)
where:
Base-Base interactions energy: -147.179
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.846
local terms energy: -78.861647
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -218.761586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.761586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.761586 (E_RNA)
where:
Base-Base interactions energy: -143.255
where: short stacking energy: -70.978
Base-Backbone interact. energy: -0.002
local terms energy: -75.504392
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -20.668
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: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -221.931948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.931948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.931948 (E_RNA)
where:
Base-Base interactions energy: -148.798
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.042
local terms energy: -73.092336
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -19.327
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: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -206.416964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.416964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.416964 (E_RNA)
where:
Base-Base interactions energy: -131.992
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.080
local terms energy: -74.345110
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -18.447
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: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -176.572442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.572442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.572442 (E_RNA)
where:
Base-Base interactions energy: -109.983
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.066
local terms energy: -66.522871
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -170.121185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.121185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.121185 (E_RNA)
where:
Base-Base interactions energy: -101.212
where: short stacking energy: -49.053
Base-Backbone interact. energy: -0.933
local terms energy: -67.976643
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -9.831
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: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -170.902480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.902480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.902480 (E_RNA)
where:
Base-Base interactions energy: -107.717
where: short stacking energy: -44.589
Base-Backbone interact. energy: -0.338
local terms energy: -62.847613
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -113.759534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.759534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.759534 (E_RNA)
where:
Base-Base interactions energy: -62.118
where: short stacking energy: -27.980
Base-Backbone interact. energy: -0.218
local terms energy: -51.423138
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -87.478142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.478142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.478142 (E_RNA)
where:
Base-Base interactions energy: -39.601
where: short stacking energy: -36.234
Base-Backbone interact. energy: -0.085
local terms energy: -47.792326
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -71.566805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.566805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.566805 (E_RNA)
where:
Base-Base interactions energy: -23.176
where: short stacking energy: -16.077
Base-Backbone interact. energy: -0.239
local terms energy: -48.151368
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -221.741622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.741622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.741622 (E_RNA)
where:
Base-Base interactions energy: -145.333
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.299
local terms energy: -76.110001
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -233.750873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.750873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.750873 (E_RNA)
where:
Base-Base interactions energy: -151.220
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.001
local terms energy: -82.530168
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -21.646
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: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -220.523616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.523616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.523616 (E_RNA)
where:
Base-Base interactions energy: -145.949
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.562
local terms energy: -74.012695
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -206.373894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.373894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.373894 (E_RNA)
where:
Base-Base interactions energy: -133.110
where: short stacking energy: -58.619
Base-Backbone interact. energy: -0.411
local terms energy: -72.852451
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -197.609440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.609440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.609440 (E_RNA)
where:
Base-Base interactions energy: -126.988
where: short stacking energy: -53.744
Base-Backbone interact. energy: -1.474
local terms energy: -69.147540
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -127.335805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.335805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.335805 (E_RNA)
where:
Base-Base interactions energy: -84.262
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.902
local terms energy: -42.171299
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -6.996
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -98.892847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.892847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.892847 (E_RNA)
where:
Base-Base interactions energy: -43.202
where: short stacking energy: -30.765
Base-Backbone interact. energy: 1.352
local terms energy: -57.042441
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -8.454
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: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -118.361373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.361373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.361373 (E_RNA)
where:
Base-Base interactions energy: -70.066
where: short stacking energy: -33.716
Base-Backbone interact. energy: -0.317
local terms energy: -47.978050
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -4.842
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: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -87.291627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.291627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.291627 (E_RNA)
where:
Base-Base interactions energy: -39.708
where: short stacking energy: -39.708
Base-Backbone interact. energy: -0.043
local terms energy: -47.540122
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -75.106592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.106592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.106592 (E_RNA)
where:
Base-Base interactions energy: -22.681
where: short stacking energy: -20.049
Base-Backbone interact. energy: -0.056
local terms energy: -52.368831
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: 2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -228.450015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.450015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.450015 (E_RNA)
where:
Base-Base interactions energy: -145.133
where: short stacking energy: -74.072
Base-Backbone interact. energy: -0.143
local terms energy: -83.174451
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -22.081
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: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -218.750287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.750287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.750287 (E_RNA)
where:
Base-Base interactions energy: -147.758
where: short stacking energy: -72.353
Base-Backbone interact. energy: -0.069
local terms energy: -70.923626
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -223.195025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.195025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.195025 (E_RNA)
where:
Base-Base interactions energy: -150.762
where: short stacking energy: -72.337
Base-Backbone interact. energy: 1.488
local terms energy: -73.921182
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -202.374564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.374564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.374564 (E_RNA)
where:
Base-Base interactions energy: -134.642
where: short stacking energy: -62.718
Base-Backbone interact. energy: 1.671
local terms energy: -69.403146
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.813
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: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -196.457424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.457424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.457424 (E_RNA)
where:
Base-Base interactions energy: -129.363
where: short stacking energy: -53.688
Base-Backbone interact. energy: -0.238
local terms energy: -66.856272
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -143.517432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.517432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.517432 (E_RNA)
where:
Base-Base interactions energy: -83.157
where: short stacking energy: -38.946
Base-Backbone interact. energy: -0.017
local terms energy: -60.343576
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -107.839111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.839111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.839111 (E_RNA)
where:
Base-Base interactions energy: -49.095
where: short stacking energy: -40.812
Base-Backbone interact. energy: -0.114
local terms energy: -58.629299
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -82.423500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.423500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.423500 (E_RNA)
where:
Base-Base interactions energy: -31.737
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.289
local terms energy: -50.397278
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -0.159
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: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -128.730875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.730875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.730875 (E_RNA)
where:
Base-Base interactions energy: -73.148
where: short stacking energy: -40.399
Base-Backbone interact. energy: -0.929
local terms energy: -54.653895
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -11.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -74.146525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.146525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.146525 (E_RNA)
where:
Base-Base interactions energy: -30.809
where: short stacking energy: -26.056
Base-Backbone interact. energy: 2.371
local terms energy: -45.708101
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -226.898040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.898040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.898040 (E_RNA)
where:
Base-Base interactions energy: -149.417
where: short stacking energy: -74.610
Base-Backbone interact. energy: -0.004
local terms energy: -77.477076
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -22.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -217.047307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.047307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.047307 (E_RNA)
where:
Base-Base interactions energy: -146.546
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.196
local terms energy: -70.304444
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -20.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -205.184928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.184928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.184928 (E_RNA)
where:
Base-Base interactions energy: -125.002
where: short stacking energy: -63.885
Base-Backbone interact. energy: -0.019
local terms energy: -80.164586
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -210.041328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.041328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.041328 (E_RNA)
where:
Base-Base interactions energy: -133.849
where: short stacking energy: -63.521
Base-Backbone interact. energy: 0.334
local terms energy: -76.526694
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -165.089101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.089101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.089101 (E_RNA)
where:
Base-Base interactions energy: -93.913
where: short stacking energy: -62.141
Base-Backbone interact. energy: 0.228
local terms energy: -71.404119
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -204.386395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.386395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.386395 (E_RNA)
where:
Base-Base interactions energy: -136.441
where: short stacking energy: -67.889
Base-Backbone interact. energy: -0.001
local terms energy: -67.944377
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -90.980260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.980260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.980260 (E_RNA)
where:
Base-Base interactions energy: -35.493
where: short stacking energy: -35.493
Base-Backbone interact. energy: -0.492
local terms energy: -54.995641
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -92.427836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.427836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.427836 (E_RNA)
where:
Base-Base interactions energy: -36.239
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.251
local terms energy: -55.937649
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -87.465113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.465113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.465113 (E_RNA)
where:
Base-Base interactions energy: -33.779
where: short stacking energy: -34.479
Base-Backbone interact. energy: -0.378
local terms energy: -53.308726
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -10.056
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: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -73.215554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.215554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.215554 (E_RNA)
where:
Base-Base interactions energy: -27.502
where: short stacking energy: -15.513
Base-Backbone interact. energy: -0.384
local terms energy: -45.329285
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: 6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -232.789851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.789851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.789851 (E_RNA)
where:
Base-Base interactions energy: -155.582
where: short stacking energy: -72.602
Base-Backbone interact. energy: -1.333
local terms energy: -75.874710
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -11.309
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: 413
Temperature: 0.950000
Total energy: -219.862988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.862988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.862988 (E_RNA)
where:
Base-Base interactions energy: -147.714
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.012
local terms energy: -72.137602
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -197.549078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.549078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.549078 (E_RNA)
where:
Base-Base interactions energy: -130.423
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.334
local terms energy: -66.791597
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -16.526
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: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -213.188495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.188495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.188495 (E_RNA)
where:
Base-Base interactions energy: -148.138
where: short stacking energy: -56.261
Base-Backbone interact. energy: 0.517
local terms energy: -65.567602
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -160.757708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.757708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.757708 (E_RNA)
where:
Base-Base interactions energy: -97.803
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.014
local terms energy: -62.940183
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -10.789
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: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -200.793592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.793592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.793592 (E_RNA)
where:
Base-Base interactions energy: -125.479
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.000
local terms energy: -75.314106
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -102.190779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.190779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.190779 (E_RNA)
where:
Base-Base interactions energy: -42.488
where: short stacking energy: -34.809
Base-Backbone interact. energy: 0.015
local terms energy: -59.717445
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -86.481849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.481849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.481849 (E_RNA)
where:
Base-Base interactions energy: -33.656
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.392
local terms energy: -52.433474
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -77.497109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.497109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.497109 (E_RNA)
where:
Base-Base interactions energy: -28.556
where: short stacking energy: -22.864
Base-Backbone interact. energy: -0.447
local terms energy: -48.494337
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -8.353
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: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -73.531673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.531673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.531673 (E_RNA)
where:
Base-Base interactions energy: -18.699
where: short stacking energy: -19.399
Base-Backbone interact. energy: -0.383
local terms energy: -54.450048
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -10.845
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: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -227.937367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.937367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.937367 (E_RNA)
where:
Base-Base interactions energy: -150.976
where: short stacking energy: -67.639
Base-Backbone interact. energy: -0.423
local terms energy: -76.537747
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -223.502050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.502050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.502050 (E_RNA)
where:
Base-Base interactions energy: -145.074
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.138
local terms energy: -78.289934
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -214.684825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.684825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.684825 (E_RNA)
where:
Base-Base interactions energy: -144.941
where: short stacking energy: -65.738
Base-Backbone interact. energy: -0.080
local terms energy: -69.664180
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -187.990407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.990407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.990407 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.054
local terms energy: -65.622942
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -211.338221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.338221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.338221 (E_RNA)
where:
Base-Base interactions energy: -142.587
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.830
local terms energy: -67.921569
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -131.788576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.788576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.788576 (E_RNA)
where:
Base-Base interactions energy: -74.716
where: short stacking energy: -42.801
Base-Backbone interact. energy: -2.120
local terms energy: -54.952684
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -97.375969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.375969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.375969 (E_RNA)
where:
Base-Base interactions energy: -44.275
where: short stacking energy: -35.028
Base-Backbone interact. energy: 0.068
local terms energy: -53.168424
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -102.653578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.653578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.653578 (E_RNA)
where:
Base-Base interactions energy: -43.270
where: short stacking energy: -38.359
Base-Backbone interact. energy: 0.253
local terms energy: -59.636771
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -10.078
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: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -80.502074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.502074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.502074 (E_RNA)
where:
Base-Base interactions energy: -37.932
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.084
local terms energy: -42.486651
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -6.222
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: 0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -78.555241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.555241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.555241 (E_RNA)
where:
Base-Base interactions energy: -31.650
where: short stacking energy: -31.650
Base-Backbone interact. energy: -0.309
local terms energy: -46.596720
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -224.295169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.295169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.295169 (E_RNA)
where:
Base-Base interactions energy: -144.733
where: short stacking energy: -69.822
Base-Backbone interact. energy: -1.012
local terms energy: -78.550123
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -222.810948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.810948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.810948 (E_RNA)
where:
Base-Base interactions energy: -142.545
where: short stacking energy: -65.394
Base-Backbone interact. energy: -0.130
local terms energy: -80.136268
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -213.916613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.916613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.916613 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -61.958
Base-Backbone interact. energy: -0.388
local terms energy: -74.787769
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -14.611
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: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -210.956799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.956799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.956799 (E_RNA)
where:
Base-Base interactions energy: -136.619
where: short stacking energy: -56.941
Base-Backbone interact. energy: -0.032
local terms energy: -74.306334
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -13.915
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: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -189.197697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.197697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.197697 (E_RNA)
where:
Base-Base interactions energy: -129.649
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.144
local terms energy: -59.404182
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -8.346
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -11.424
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: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -124.920044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.920044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.920044 (E_RNA)
where:
Base-Base interactions energy: -68.855
where: short stacking energy: -38.112
Base-Backbone interact. energy: 0.500
local terms energy: -56.564929
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -88.281231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.281231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.281231 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.167
local terms energy: -56.881572
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -7.189
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: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -85.332554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.332554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.332554 (E_RNA)
where:
Base-Base interactions energy: -40.319
where: short stacking energy: -26.794
Base-Backbone interact. energy: 0.215
local terms energy: -45.227937
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -8.468
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: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -79.448367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.448367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.448367 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.126
local terms energy: -53.112713
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -74.081899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.081899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.081899 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -24.746
Base-Backbone interact. energy: -0.189
local terms energy: -45.191628
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -223.075738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.075738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.075738 (E_RNA)
where:
Base-Base interactions energy: -154.849
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.300
local terms energy: -67.926999
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -220.973156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.973156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.973156 (E_RNA)
where:
Base-Base interactions energy: -140.915
where: short stacking energy: -69.781
Base-Backbone interact. energy: -0.688
local terms energy: -79.370833
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -14.163
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: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -216.859317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.859317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.859317 (E_RNA)
where:
Base-Base interactions energy: -137.550
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.689
local terms energy: -78.620368
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -12.290
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: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -207.011089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.011089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.011089 (E_RNA)
where:
Base-Base interactions energy: -133.242
where: short stacking energy: -60.905
Base-Backbone interact. energy: -0.072
local terms energy: -73.696452
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -195.582398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.582398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.582398 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -60.415
Base-Backbone interact. energy: -0.169
local terms energy: -61.414476
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -128.176861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.176861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.176861 (E_RNA)
where:
Base-Base interactions energy: -72.872
where: short stacking energy: -40.255
Base-Backbone interact. energy: -1.900
local terms energy: -53.405184
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -3.893
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: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -93.476378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.476378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.476378 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -18.462
Base-Backbone interact. energy: -0.241
local terms energy: -54.427910
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -4.105
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: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -85.199667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.199667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.199667 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -29.978
Base-Backbone interact. energy: 0.027
local terms energy: -50.445860
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -85.401419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.401419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.401419 (E_RNA)
where:
Base-Base interactions energy: -34.723
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.179
local terms energy: -50.499013
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -78.798253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.798253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.798253 (E_RNA)
where:
Base-Base interactions energy: -30.070
where: short stacking energy: -29.421
Base-Backbone interact. energy: -0.106
local terms energy: -48.621502
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -4.308
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: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -213.276328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.276328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.276328 (E_RNA)
where:
Base-Base interactions energy: -142.665
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.073
local terms energy: -70.537582
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -222.897644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.897644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.897644 (E_RNA)
where:
Base-Base interactions energy: -148.489
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.834
local terms energy: -73.574488
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -220.770364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.770364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.770364 (E_RNA)
where:
Base-Base interactions energy: -154.228
where: short stacking energy: -51.095
Base-Backbone interact. energy: -0.920
local terms energy: -65.622555
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -207.981311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.981311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.981311 (E_RNA)
where:
Base-Base interactions energy: -135.087
where: short stacking energy: -63.375
Base-Backbone interact. energy: -0.011
local terms energy: -72.883406
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -194.511308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.511308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.511308 (E_RNA)
where:
Base-Base interactions energy: -130.156
where: short stacking energy: -64.841
Base-Backbone interact. energy: -0.832
local terms energy: -63.522774
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -6.747
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -132.587383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.587383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.587383 (E_RNA)
where:
Base-Base interactions energy: -73.129
where: short stacking energy: -43.184
Base-Backbone interact. energy: -0.007
local terms energy: -59.450842
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -100.041538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.041538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.041538 (E_RNA)
where:
Base-Base interactions energy: -37.103
where: short stacking energy: -36.880
Base-Backbone interact. energy: -0.127
local terms energy: -62.811319
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -94.251244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.251244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.251244 (E_RNA)
where:
Base-Base interactions energy: -43.020
where: short stacking energy: -37.169
Base-Backbone interact. energy: -0.183
local terms energy: -51.048213
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -9.524
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: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -80.027725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.027725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.027725 (E_RNA)
where:
Base-Base interactions energy: -31.954
where: short stacking energy: -23.556
Base-Backbone interact. energy: -0.101
local terms energy: -47.972419
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -76.372154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.372154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.372154 (E_RNA)
where:
Base-Base interactions energy: -28.240
where: short stacking energy: -24.507
Base-Backbone interact. energy: -0.196
local terms energy: -47.935610
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -224.963816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.963816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.963816 (E_RNA)
where:
Base-Base interactions energy: -145.722
where: short stacking energy: -69.865
Base-Backbone interact. energy: -1.767
local terms energy: -77.474879
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -10.208
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: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -218.419061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.419061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.419061 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -62.252
Base-Backbone interact. energy: -0.112
local terms energy: -71.267409
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -205.837316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.837316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.837316 (E_RNA)
where:
Base-Base interactions energy: -140.529
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.064
local terms energy: -65.243896
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.014
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: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -215.282556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.282556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.282556 (E_RNA)
where:
Base-Base interactions energy: -141.105
where: short stacking energy: -71.521
Base-Backbone interact. energy: -0.583
local terms energy: -73.593835
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -21.374
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: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -196.466701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.466701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.466701 (E_RNA)
where:
Base-Base interactions energy: -126.600
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.005
local terms energy: -69.861575
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -100.254433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.254433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.254433 (E_RNA)
where:
Base-Base interactions energy: -45.305
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.190
local terms energy: -54.759045
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -10.549
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: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -84.588984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.588984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.588984 (E_RNA)
where:
Base-Base interactions energy: -29.869
where: short stacking energy: -28.091
Base-Backbone interact. energy: -0.147
local terms energy: -54.573441
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -91.523185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.523185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.523185 (E_RNA)
where:
Base-Base interactions energy: -29.660
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.108
local terms energy: -61.755157
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -85.080900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.080900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.080900 (E_RNA)
where:
Base-Base interactions energy: -44.981
where: short stacking energy: -34.304
Base-Backbone interact. energy: -0.968
local terms energy: -39.132179
where:
bonds (distance) C4'-P energy: -7.893
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -88.212716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.212716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.212716 (E_RNA)
where:
Base-Base interactions energy: -26.075
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.022
local terms energy: -62.115548
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -227.212252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.212252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.212252 (E_RNA)
where:
Base-Base interactions energy: -148.543
where: short stacking energy: -76.143
Base-Backbone interact. energy: 0.285
local terms energy: -78.953894
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -21.867
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: 419
Temperature: 0.950000
Total energy: -218.445310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.445310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.445310 (E_RNA)
where:
Base-Base interactions energy: -146.358
where: short stacking energy: -57.430
Base-Backbone interact. energy: -0.940
local terms energy: -71.147134
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -11.916
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: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -209.556356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.556356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.556356 (E_RNA)
where:
Base-Base interactions energy: -133.119
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.223
local terms energy: -76.215179
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -10.365
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -212.801337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.801337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.801337 (E_RNA)
where:
Base-Base interactions energy: -131.805
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.336
local terms energy: -80.660180
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -202.902753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.902753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.902753 (E_RNA)
where:
Base-Base interactions energy: -136.163
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.516
local terms energy: -66.223744
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -6.733
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: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -103.409014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.409014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.409014 (E_RNA)
where:
Base-Base interactions energy: -37.396
where: short stacking energy: -38.296
Base-Backbone interact. energy: 0.126
local terms energy: -66.139542
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -8.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -94.705412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.705412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.705412 (E_RNA)
where:
Base-Base interactions energy: -48.443
where: short stacking energy: -21.836
Base-Backbone interact. energy: -0.285
local terms energy: -45.977815
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -84.102034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.102034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.102034 (E_RNA)
where:
Base-Base interactions energy: -34.917
where: short stacking energy: -17.310
Base-Backbone interact. energy: -0.340
local terms energy: -48.844706
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: 3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -82.122677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.122677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.122677 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -33.227
Base-Backbone interact. energy: 1.539
local terms energy: -50.154278
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -71.093397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.093397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.093397 (E_RNA)
where:
Base-Base interactions energy: -18.443
where: short stacking energy: -18.443
Base-Backbone interact. energy: -0.237
local terms energy: -52.413795
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -226.560856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.560856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.560856 (E_RNA)
where:
Base-Base interactions energy: -149.927
where: short stacking energy: -78.702
Base-Backbone interact. energy: -0.002
local terms energy: -76.631423
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -217.951519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.951519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.951519 (E_RNA)
where:
Base-Base interactions energy: -146.455
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.001
local terms energy: -71.495110
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -221.340816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.340816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.340816 (E_RNA)
where:
Base-Base interactions energy: -145.130
where: short stacking energy: -67.222
Base-Backbone interact. energy: -0.064
local terms energy: -76.146710
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -21.496
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: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -213.522783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.522783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.522783 (E_RNA)
where:
Base-Base interactions energy: -143.765
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.001
local terms energy: -69.757486
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -208.528819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.528819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.528819 (E_RNA)
where:
Base-Base interactions energy: -136.533
where: short stacking energy: -67.517
Base-Backbone interact. energy: -0.006
local terms energy: -71.989353
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -20.391
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: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -97.855077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855077 (E_RNA)
where:
Base-Base interactions energy: -44.632
where: short stacking energy: -38.381
Base-Backbone interact. energy: 1.994
local terms energy: -55.217793
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -106.175536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.175536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.175536 (E_RNA)
where:
Base-Base interactions energy: -42.790
where: short stacking energy: -41.888
Base-Backbone interact. energy: -0.059
local terms energy: -63.327024
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -98.330932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.330932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.330932 (E_RNA)
where:
Base-Base interactions energy: -40.826
where: short stacking energy: -40.826
Base-Backbone interact. energy: -0.100
local terms energy: -57.404932
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -81.561819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561819 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -28.566
Base-Backbone interact. energy: 0.017
local terms energy: -51.763135
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -76.699430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.699430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.699430 (E_RNA)
where:
Base-Base interactions energy: -31.892
where: short stacking energy: -31.892
Base-Backbone interact. energy: -0.097
local terms energy: -44.710289
where:
bonds (distance) C4'-P energy: -7.343
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -224.331975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.331975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.331975 (E_RNA)
where:
Base-Base interactions energy: -146.913
where: short stacking energy: -71.072
Base-Backbone interact. energy: 0.292
local terms energy: -77.711267
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -219.660768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.660768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.660768 (E_RNA)
where:
Base-Base interactions energy: -138.967
where: short stacking energy: -63.891
Base-Backbone interact. energy: -0.016
local terms energy: -80.677517
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.746
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: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -219.369501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.369501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.369501 (E_RNA)
where:
Base-Base interactions energy: -146.438
where: short stacking energy: -67.178
Base-Backbone interact. energy: -0.679
local terms energy: -72.252908
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -208.098018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.098018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.098018 (E_RNA)
where:
Base-Base interactions energy: -136.620
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.416
local terms energy: -71.062233
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -210.125604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.125604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.125604 (E_RNA)
where:
Base-Base interactions energy: -144.765
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.142
local terms energy: -65.218044
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -104.489969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.489969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.489969 (E_RNA)
where:
Base-Base interactions energy: -50.973
where: short stacking energy: -26.753
Base-Backbone interact. energy: -0.488
local terms energy: -53.029057
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -100.208939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.208939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.208939 (E_RNA)
where:
Base-Base interactions energy: -38.949
where: short stacking energy: -33.893
Base-Backbone interact. energy: 0.897
local terms energy: -62.156790
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -13.821
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: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -87.607945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.607945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.607945 (E_RNA)
where:
Base-Base interactions energy: -40.730
where: short stacking energy: -33.632
Base-Backbone interact. energy: -0.400
local terms energy: -46.477684
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -0.348
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: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -88.110932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110932 (E_RNA)
where:
Base-Base interactions energy: -34.242
where: short stacking energy: -29.700
Base-Backbone interact. energy: -0.274
local terms energy: -53.594032
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -91.971796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.971796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.971796 (E_RNA)
where:
Base-Base interactions energy: -39.383
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.010
local terms energy: -52.578052
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -5.918
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: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -223.893561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.893561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.893561 (E_RNA)
where:
Base-Base interactions energy: -150.408
where: short stacking energy: -69.103
Base-Backbone interact. energy: -0.144
local terms energy: -73.341958
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -225.030016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.030016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.030016 (E_RNA)
where:
Base-Base interactions energy: -151.999
where: short stacking energy: -62.709
Base-Backbone interact. energy: -0.021
local terms energy: -73.010175
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -216.600182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.600182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.600182 (E_RNA)
where:
Base-Base interactions energy: -139.523
where: short stacking energy: -69.776
Base-Backbone interact. energy: -0.070
local terms energy: -77.007587
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -20.929
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: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -203.820288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820288 (E_RNA)
where:
Base-Base interactions energy: -134.680
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.702
local terms energy: -68.438206
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -208.263470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.263470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.263470 (E_RNA)
where:
Base-Base interactions energy: -132.526
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.856
local terms energy: -74.881277
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -120.243316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.243316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.243316 (E_RNA)
where:
Base-Base interactions energy: -62.873
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.125
local terms energy: -57.245381
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -96.186020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.186020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.186020 (E_RNA)
where:
Base-Base interactions energy: -38.901
where: short stacking energy: -33.929
Base-Backbone interact. energy: -0.195
local terms energy: -57.090156
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -10.408
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: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -90.648010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648010 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -28.563
Base-Backbone interact. energy: -0.058
local terms energy: -55.913565
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -89.208702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.208702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.208702 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -27.362
Base-Backbone interact. energy: 0.522
local terms energy: -59.699728
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -85.043810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043810 (E_RNA)
where:
Base-Base interactions energy: -32.635
where: short stacking energy: -30.744
Base-Backbone interact. energy: -0.062
local terms energy: -52.347142
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -9.464
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: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -228.653041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.653041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.653041 (E_RNA)
where:
Base-Base interactions energy: -149.799
where: short stacking energy: -74.305
Base-Backbone interact. energy: -0.004
local terms energy: -78.850352
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -217.946831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.946831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.946831 (E_RNA)
where:
Base-Base interactions energy: -142.338
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.098
local terms energy: -75.511094
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -8.981
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: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -222.957259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.957259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.957259 (E_RNA)
where:
Base-Base interactions energy: -144.653
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.034
local terms energy: -78.270213
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -22.777
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: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -208.404857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.404857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.404857 (E_RNA)
where:
Base-Base interactions energy: -138.229
where: short stacking energy: -64.951
Base-Backbone interact. energy: -0.017
local terms energy: -70.158918
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -182.618860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.618860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.618860 (E_RNA)
where:
Base-Base interactions energy: -111.179
where: short stacking energy: -47.847
Base-Backbone interact. energy: -1.683
local terms energy: -69.757326
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -13.259
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: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -95.314368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.314368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.314368 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -37.314
Base-Backbone interact. energy: -0.062
local terms energy: -55.168222
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -106.461054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.461054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.461054 (E_RNA)
where:
Base-Base interactions energy: -59.027
where: short stacking energy: -36.377
Base-Backbone interact. energy: 0.932
local terms energy: -48.366322
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -88.391656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.391656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.391656 (E_RNA)
where:
Base-Base interactions energy: -34.595
where: short stacking energy: -27.901
Base-Backbone interact. energy: -0.135
local terms energy: -53.660818
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -2.563
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: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -78.580844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.580844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.580844 (E_RNA)
where:
Base-Base interactions energy: -30.012
where: short stacking energy: -27.208
Base-Backbone interact. energy: -0.348
local terms energy: -48.221277
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -76.663139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.663139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.663139 (E_RNA)
where:
Base-Base interactions energy: -33.174
where: short stacking energy: -31.954
Base-Backbone interact. energy: -0.012
local terms energy: -43.477048
where:
bonds (distance) C4'-P energy: -6.872
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -225.604675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.604675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.604675 (E_RNA)
where:
Base-Base interactions energy: -145.959
where: short stacking energy: -72.229
Base-Backbone interact. energy: -0.008
local terms energy: -79.636876
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -220.338256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.338256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.338256 (E_RNA)
where:
Base-Base interactions energy: -143.416
where: short stacking energy: -75.318
Base-Backbone interact. energy: -0.070
local terms energy: -76.852355
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -218.618248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.618248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.618248 (E_RNA)
where:
Base-Base interactions energy: -141.576
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.182
local terms energy: -76.860254
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -210.504896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.504896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.504896 (E_RNA)
where:
Base-Base interactions energy: -133.452
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.065
local terms energy: -76.988107
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -8.710
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: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -196.135108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.135108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.135108 (E_RNA)
where:
Base-Base interactions energy: -131.892
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.091
local terms energy: -64.152335
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -8.621
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: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -98.899518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.899518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.899518 (E_RNA)
where:
Base-Base interactions energy: -36.008
where: short stacking energy: -33.978
Base-Backbone interact. energy: -0.745
local terms energy: -62.147260
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -97.071354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.071354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.071354 (E_RNA)
where:
Base-Base interactions energy: -33.285
where: short stacking energy: -33.285
Base-Backbone interact. energy: -0.296
local terms energy: -63.490546
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -5.537
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: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -101.988831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.988831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.988831 (E_RNA)
where:
Base-Base interactions energy: -44.699
where: short stacking energy: -44.699
Base-Backbone interact. energy: -0.022
local terms energy: -57.268137
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -88.607733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.607733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.607733 (E_RNA)
where:
Base-Base interactions energy: -45.421
where: short stacking energy: -32.729
Base-Backbone interact. energy: 1.704
local terms energy: -44.891084
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -74.744771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.744771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.744771 (E_RNA)
where:
Base-Base interactions energy: -33.167
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.339
local terms energy: -41.239291
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -8.327
flat angles P-C4'-P energy: -7.673
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: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -226.848236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.848236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.848236 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -68.328
Base-Backbone interact. energy: -1.416
local terms energy: -82.694542
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -22.484
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: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -218.456298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.456298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.456298 (E_RNA)
where:
Base-Base interactions energy: -138.824
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.038
local terms energy: -79.594536
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -20.611
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: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -202.738870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.738870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.738870 (E_RNA)
where:
Base-Base interactions energy: -137.163
where: short stacking energy: -49.287
Base-Backbone interact. energy: -0.204
local terms energy: -65.371969
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -209.307983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.307983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.307983 (E_RNA)
where:
Base-Base interactions energy: -145.270
where: short stacking energy: -56.857
Base-Backbone interact. energy: -0.534
local terms energy: -63.504566
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -204.227090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.227090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.227090 (E_RNA)
where:
Base-Base interactions energy: -140.028
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.004
local terms energy: -64.194697
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -7.027
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: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -107.955338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.955338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.955338 (E_RNA)
where:
Base-Base interactions energy: -52.106
where: short stacking energy: -37.488
Base-Backbone interact. energy: -0.213
local terms energy: -55.636160
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -88.045336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.045336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.045336 (E_RNA)
where:
Base-Base interactions energy: -36.423
where: short stacking energy: -36.212
Base-Backbone interact. energy: -1.355
local terms energy: -50.266585
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -87.253347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.253347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.253347 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -37.010
Base-Backbone interact. energy: -0.220
local terms energy: -50.023277
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -7.904
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: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -79.545224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.545224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.545224 (E_RNA)
where:
Base-Base interactions energy: -31.042
where: short stacking energy: -30.432
Base-Backbone interact. energy: -0.066
local terms energy: -48.437807
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -4.176
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -93.195496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.195496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.195496 (E_RNA)
where:
Base-Base interactions energy: -35.431
where: short stacking energy: -28.869
Base-Backbone interact. energy: -0.062
local terms energy: -57.702433
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -219.690795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.690795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690795 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.002
local terms energy: -76.863248
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -213.516501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.516501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.516501 (E_RNA)
where:
Base-Base interactions energy: -143.343
where: short stacking energy: -64.948
Base-Backbone interact. energy: -0.473
local terms energy: -69.700530
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -212.013780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.013780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.013780 (E_RNA)
where:
Base-Base interactions energy: -137.430
where: short stacking energy: -62.233
Base-Backbone interact. energy: -0.890
local terms energy: -73.693151
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -9.796
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: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -206.186066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.186066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.186066 (E_RNA)
where:
Base-Base interactions energy: -141.099
where: short stacking energy: -56.429
Base-Backbone interact. energy: -0.239
local terms energy: -64.848332
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -195.136292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.136292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.136292 (E_RNA)
where:
Base-Base interactions energy: -131.706
where: short stacking energy: -55.564
Base-Backbone interact. energy: -1.569
local terms energy: -61.861621
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -16.821
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: 426
Temperature: 1.150000
Total energy: -127.917230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.917230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.917230 (E_RNA)
where:
Base-Base interactions energy: -67.994
where: short stacking energy: -46.919
Base-Backbone interact. energy: -0.008
local terms energy: -59.915055
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -103.540957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.540957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.540957 (E_RNA)
where:
Base-Base interactions energy: -46.154
where: short stacking energy: -46.154
Base-Backbone interact. energy: -0.009
local terms energy: -57.378252
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -8.352
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -88.825851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.825851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.825851 (E_RNA)
where:
Base-Base interactions energy: -40.483
where: short stacking energy: -26.787
Base-Backbone interact. energy: -0.256
local terms energy: -48.087181
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -86.969045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.969045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.969045 (E_RNA)
where:
Base-Base interactions energy: -45.503
where: short stacking energy: -31.510
Base-Backbone interact. energy: 0.174
local terms energy: -41.639963
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -0.207
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: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -76.545857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.545857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.545857 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -27.238
Base-Backbone interact. energy: 0.018
local terms energy: -45.655503
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -215.094002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.094002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.094002 (E_RNA)
where:
Base-Base interactions energy: -141.539
where: short stacking energy: -57.347
Base-Backbone interact. energy: -0.006
local terms energy: -73.549060
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -14.726
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: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -225.978118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.978118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.978118 (E_RNA)
where:
Base-Base interactions energy: -149.717
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.597
local terms energy: -75.664177
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -22.226
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: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -215.629944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.629944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.629944 (E_RNA)
where:
Base-Base interactions energy: -143.455
where: short stacking energy: -67.955
Base-Backbone interact. energy: -0.644
local terms energy: -71.530802
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -23.013
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: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -198.273275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.273275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.273275 (E_RNA)
where:
Base-Base interactions energy: -132.131
where: short stacking energy: -58.096
Base-Backbone interact. energy: 0.108
local terms energy: -66.250379
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -201.854930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.854930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.854930 (E_RNA)
where:
Base-Base interactions energy: -140.117
where: short stacking energy: -49.021
Base-Backbone interact. energy: -0.157
local terms energy: -61.580321
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -149.676847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.676847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.676847 (E_RNA)
where:
Base-Base interactions energy: -84.571
where: short stacking energy: -57.903
Base-Backbone interact. energy: -1.173
local terms energy: -63.933481
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -11.533
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: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -101.542604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.542604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.542604 (E_RNA)
where:
Base-Base interactions energy: -45.844
where: short stacking energy: -36.183
Base-Backbone interact. energy: -0.444
local terms energy: -55.255474
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -93.084842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.084842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.084842 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -40.398
Base-Backbone interact. energy: -0.141
local terms energy: -50.510330
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -7.135
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: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -86.382557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.382557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.382557 (E_RNA)
where:
Base-Base interactions energy: -40.064
where: short stacking energy: -24.813
Base-Backbone interact. energy: -0.245
local terms energy: -46.074088
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -94.549529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.549529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.549529 (E_RNA)
where:
Base-Base interactions energy: -54.377
where: short stacking energy: -30.058
Base-Backbone interact. energy: -0.105
local terms energy: -40.066797
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -224.900626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.900626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.900626 (E_RNA)
where:
Base-Base interactions energy: -149.878
where: short stacking energy: -58.838
Base-Backbone interact. energy: -1.516
local terms energy: -73.506555
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -215.084408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.084408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.084408 (E_RNA)
where:
Base-Base interactions energy: -147.299
where: short stacking energy: -65.882
Base-Backbone interact. energy: -1.626
local terms energy: -66.159649
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -206.287758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.287758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.287758 (E_RNA)
where:
Base-Base interactions energy: -147.889
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.476
local terms energy: -57.923442
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -212.323632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.323632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.323632 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -62.588
Base-Backbone interact. energy: -0.750
local terms energy: -75.198484
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -161.208364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.208364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.208364 (E_RNA)
where:
Base-Base interactions energy: -107.436
where: short stacking energy: -50.464
Base-Backbone interact. energy: -0.224
local terms energy: -53.548551
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -8.312
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: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -183.842430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.842430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.842430 (E_RNA)
where:
Base-Base interactions energy: -128.826
where: short stacking energy: -47.812
Base-Backbone interact. energy: -0.423
local terms energy: -54.592526
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -10.186
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: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -106.251581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.251581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.251581 (E_RNA)
where:
Base-Base interactions energy: -49.793
where: short stacking energy: -45.676
Base-Backbone interact. energy: 0.290
local terms energy: -56.749164
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -93.172410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.172410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.172410 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -29.877
Base-Backbone interact. energy: 0.148
local terms energy: -54.790874
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -84.503585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.503585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.503585 (E_RNA)
where:
Base-Base interactions energy: -27.821
where: short stacking energy: -27.524
Base-Backbone interact. energy: -0.465
local terms energy: -56.218153
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.446207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.446207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.446207 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.080
local terms energy: -43.415541
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -227.640917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.640917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.640917 (E_RNA)
where:
Base-Base interactions energy: -146.432
where: short stacking energy: -75.877
Base-Backbone interact. energy: -0.178
local terms energy: -81.030370
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -214.090197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.090197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.090197 (E_RNA)
where:
Base-Base interactions energy: -144.118
where: short stacking energy: -46.371
Base-Backbone interact. energy: -1.835
local terms energy: -68.137488
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -212.753340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.753340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.753340 (E_RNA)
where:
Base-Base interactions energy: -147.429
where: short stacking energy: -70.471
Base-Backbone interact. energy: -0.025
local terms energy: -65.299584
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -210.870917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.870917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.870917 (E_RNA)
where:
Base-Base interactions energy: -132.626
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.733
local terms energy: -77.512316
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -171.777146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.777146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.777146 (E_RNA)
where:
Base-Base interactions energy: -113.375
where: short stacking energy: -54.192
Base-Backbone interact. energy: -0.179
local terms energy: -58.223345
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -200.825542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.825542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.825542 (E_RNA)
where:
Base-Base interactions energy: -138.849
where: short stacking energy: -55.951
Base-Backbone interact. energy: -0.053
local terms energy: -61.923516
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -91.527355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.527355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.527355 (E_RNA)
where:
Base-Base interactions energy: -43.235
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.088
local terms energy: -48.204533
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -86.746234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746234 (E_RNA)
where:
Base-Base interactions energy: -39.449
where: short stacking energy: -30.745
Base-Backbone interact. energy: 0.151
local terms energy: -47.448269
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -76.746550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.746550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.746550 (E_RNA)
where:
Base-Base interactions energy: -27.620
where: short stacking energy: -27.620
Base-Backbone interact. energy: 0.272
local terms energy: -49.398728
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -77.216483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.216483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.216483 (E_RNA)
where:
Base-Base interactions energy: -29.096
where: short stacking energy: -29.096
Base-Backbone interact. energy: -0.086
local terms energy: -48.034602
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -225.880528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.880528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.880528 (E_RNA)
where:
Base-Base interactions energy: -147.358
where: short stacking energy: -69.917
Base-Backbone interact. energy: -0.684
local terms energy: -77.837970
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -9.941
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: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -210.155478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.155478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.155478 (E_RNA)
where:
Base-Base interactions energy: -133.994
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.112
local terms energy: -76.049673
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -12.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -212.022779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.022779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.022779 (E_RNA)
where:
Base-Base interactions energy: -138.006
where: short stacking energy: -60.347
Base-Backbone interact. energy: -0.403
local terms energy: -73.614031
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -210.470489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.470489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.470489 (E_RNA)
where:
Base-Base interactions energy: -138.683
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.240
local terms energy: -71.547631
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -198.037693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.037693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.037693 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -50.145
Base-Backbone interact. energy: -0.317
local terms energy: -60.209011
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -9.165
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: 430
Temperature: 1.150000
Total energy: -166.286418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.286418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.286418 (E_RNA)
where:
Base-Base interactions energy: -103.506
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.033
local terms energy: -62.747984
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -80.947666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.947666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.947666 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -26.042
Base-Backbone interact. energy: -0.031
local terms energy: -47.768914
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -79.319990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.319990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.319990 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -25.224
Base-Backbone interact. energy: 1.068
local terms energy: -53.788287
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -83.422134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.422134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.422134 (E_RNA)
where:
Base-Base interactions energy: -35.094
where: short stacking energy: -27.230
Base-Backbone interact. energy: -0.038
local terms energy: -48.289590
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -81.291026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.291026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.291026 (E_RNA)
where:
Base-Base interactions energy: -31.275
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.117
local terms energy: -49.898875
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -219.957515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.957515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.957515 (E_RNA)
where:
Base-Base interactions energy: -140.218
where: short stacking energy: -65.386
Base-Backbone interact. energy: -0.099
local terms energy: -79.640231
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -213.328489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.328489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.328489 (E_RNA)
where:
Base-Base interactions energy: -145.903
where: short stacking energy: -66.539
Base-Backbone interact. energy: -0.101
local terms energy: -67.324883
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -8.570
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: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -200.959830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.959830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.959830 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -50.214
Base-Backbone interact. energy: -1.064
local terms energy: -57.588922
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -0.955
tors. eta vs tors. theta energy: -11.545
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: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -208.745532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.745532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.745532 (E_RNA)
where:
Base-Base interactions energy: -137.990
where: short stacking energy: -70.552
Base-Backbone interact. energy: -0.420
local terms energy: -70.335896
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -203.612729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.612729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.612729 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -53.049
Base-Backbone interact. energy: -0.045
local terms energy: -69.347163
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -158.123036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.123036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.123036 (E_RNA)
where:
Base-Base interactions energy: -90.278
where: short stacking energy: -53.403
Base-Backbone interact. energy: -0.534
local terms energy: -67.310854
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -11.138
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: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -88.987333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.987333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.987333 (E_RNA)
where:
Base-Base interactions energy: -33.025
where: short stacking energy: -33.025
Base-Backbone interact. energy: -0.005
local terms energy: -55.957396
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -3.661
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: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -109.376460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.376460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.376460 (E_RNA)
where:
Base-Base interactions energy: -41.755
where: short stacking energy: -41.755
Base-Backbone interact. energy: -0.017
local terms energy: -67.605118
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -13.676
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: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -78.875475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.875475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.875475 (E_RNA)
where:
Base-Base interactions energy: -24.096
where: short stacking energy: -24.096
Base-Backbone interact. energy: -0.231
local terms energy: -54.548836
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -68.237675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.237675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.237675 (E_RNA)
where:
Base-Base interactions energy: -26.688
where: short stacking energy: -21.486
Base-Backbone interact. energy: -0.391
local terms energy: -41.159259
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: 2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -223.796268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.796268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.796268 (E_RNA)
where:
Base-Base interactions energy: -143.058
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.111
local terms energy: -80.626865
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -226.201563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.201563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.201563 (E_RNA)
where:
Base-Base interactions energy: -149.892
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.426
local terms energy: -75.883601
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -9.829
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: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -211.134078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.134078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.134078 (E_RNA)
where:
Base-Base interactions energy: -141.624
where: short stacking energy: -63.377
Base-Backbone interact. energy: -0.889
local terms energy: -68.620591
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -8.801
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: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -197.212948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.212948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.212948 (E_RNA)
where:
Base-Base interactions energy: -136.163
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.594
local terms energy: -60.455805
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -7.623
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -192.005885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.005885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.005885 (E_RNA)
where:
Base-Base interactions energy: -136.250
where: short stacking energy: -52.123
Base-Backbone interact. energy: -0.141
local terms energy: -55.615214
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -136.208195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.208195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.208195 (E_RNA)
where:
Base-Base interactions energy: -72.984
where: short stacking energy: -35.825
Base-Backbone interact. energy: -0.462
local terms energy: -62.762994
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -100.241912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.241912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.241912 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.022
local terms energy: -51.540079
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -83.071812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.071812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.071812 (E_RNA)
where:
Base-Base interactions energy: -34.569
where: short stacking energy: -30.170
Base-Backbone interact. energy: -0.381
local terms energy: -48.122056
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -81.496917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.496917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.496917 (E_RNA)
where:
Base-Base interactions energy: -35.839
where: short stacking energy: -30.944
Base-Backbone interact. energy: 0.621
local terms energy: -46.279450
where:
bonds (distance) C4'-P energy: -7.964
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -83.871616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871616 (E_RNA)
where:
Base-Base interactions energy: -32.922
where: short stacking energy: -29.408
Base-Backbone interact. energy: 1.685
local terms energy: -52.634730
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -10.686
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: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -223.598090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.598090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.598090 (E_RNA)
where:
Base-Base interactions energy: -150.339
where: short stacking energy: -66.333
Base-Backbone interact. energy: -0.317
local terms energy: -72.941772
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -221.215384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.215384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.215384 (E_RNA)
where:
Base-Base interactions energy: -142.435
where: short stacking energy: -69.883
Base-Backbone interact. energy: 0.154
local terms energy: -78.934640
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -214.360798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.360798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.360798 (E_RNA)
where:
Base-Base interactions energy: -143.115
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.922
local terms energy: -70.323718
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -18.521
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: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -208.337977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.337977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.337977 (E_RNA)
where:
Base-Base interactions energy: -144.293
where: short stacking energy: -52.709
Base-Backbone interact. energy: -0.029
local terms energy: -64.016424
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -213.994146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.994146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.994146 (E_RNA)
where:
Base-Base interactions energy: -143.481
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.001
local terms energy: -70.511917
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -96.552856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552856 (E_RNA)
where:
Base-Base interactions energy: -40.606
where: short stacking energy: -38.759
Base-Backbone interact. energy: -0.088
local terms energy: -55.858788
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -114.186478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.186478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.186478 (E_RNA)
where:
Base-Base interactions energy: -58.597
where: short stacking energy: -27.502
Base-Backbone interact. energy: -0.142
local terms energy: -55.447214
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -9.741
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: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -91.785298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.785298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.785298 (E_RNA)
where:
Base-Base interactions energy: -39.588
where: short stacking energy: -39.588
Base-Backbone interact. energy: -0.118
local terms energy: -52.078506
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -75.927336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.927336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.927336 (E_RNA)
where:
Base-Base interactions energy: -24.405
where: short stacking energy: -23.174
Base-Backbone interact. energy: -0.347
local terms energy: -51.175077
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -0.898
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: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -81.029176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.029176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.029176 (E_RNA)
where:
Base-Base interactions energy: -28.756
where: short stacking energy: -28.756
Base-Backbone interact. energy: -0.169
local terms energy: -52.104159
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -216.721298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.721298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.721298 (E_RNA)
where:
Base-Base interactions energy: -145.827
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.000
local terms energy: -70.894064
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -223.392385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.392385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.392385 (E_RNA)
where:
Base-Base interactions energy: -143.683
where: short stacking energy: -70.920
Base-Backbone interact. energy: -0.014
local terms energy: -79.695879
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -211.722821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.722821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.722821 (E_RNA)
where:
Base-Base interactions energy: -142.785
where: short stacking energy: -59.473
Base-Backbone interact. energy: -1.196
local terms energy: -67.742025
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -15.459
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: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -209.727200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.727200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.727200 (E_RNA)
where:
Base-Base interactions energy: -135.117
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.002
local terms energy: -74.608564
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -9.319
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: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -205.448471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.448471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.448471 (E_RNA)
where:
Base-Base interactions energy: -132.898
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.000
local terms energy: -72.550333
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -19.793
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: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -96.991892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.991892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.991892 (E_RNA)
where:
Base-Base interactions energy: -42.886
where: short stacking energy: -36.139
Base-Backbone interact. energy: 0.211
local terms energy: -54.317347
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -8.058
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: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -96.002339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.002339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.002339 (E_RNA)
where:
Base-Base interactions energy: -39.588
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.091
local terms energy: -56.323145
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -8.528
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -83.126226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.126226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.126226 (E_RNA)
where:
Base-Base interactions energy: -47.936
where: short stacking energy: -18.237
Base-Backbone interact. energy: -0.027
local terms energy: -35.163326
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -7.916
flat angles P-C4'-P energy: -2.489
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: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -81.917025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.917025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.917025 (E_RNA)
where:
Base-Base interactions energy: -36.462
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.394
local terms energy: -45.060916
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -12.073
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: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -79.599510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.599510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.599510 (E_RNA)
where:
Base-Base interactions energy: -28.052
where: short stacking energy: -28.052
Base-Backbone interact. energy: 0.091
local terms energy: -51.638944
where:
bonds (distance) C4'-P energy: -7.049
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -225.038460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.038460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.038460 (E_RNA)
where:
Base-Base interactions energy: -143.299
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.102
local terms energy: -81.637230
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -19.136
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: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -224.274905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.274905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.274905 (E_RNA)
where:
Base-Base interactions energy: -151.222
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.132
local terms energy: -72.921030
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -11.348
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: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -208.150703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.150703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.150703 (E_RNA)
where:
Base-Base interactions energy: -138.745
where: short stacking energy: -55.665
Base-Backbone interact. energy: 0.259
local terms energy: -69.665367
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -202.097854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.097854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.097854 (E_RNA)
where:
Base-Base interactions energy: -126.364
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.040
local terms energy: -75.693879
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -213.034158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.034158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.034158 (E_RNA)
where:
Base-Base interactions energy: -135.005
where: short stacking energy: -58.473
Base-Backbone interact. energy: 0.185
local terms energy: -78.214137
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -18.109
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: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -116.654941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.654941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.654941 (E_RNA)
where:
Base-Base interactions energy: -53.713
where: short stacking energy: -45.708
Base-Backbone interact. energy: -0.008
local terms energy: -62.933273
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -11.715
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: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -90.665815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.665815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.665815 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -31.283
Base-Backbone interact. energy: 0.235
local terms energy: -57.779216
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -91.881127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.881127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.881127 (E_RNA)
where:
Base-Base interactions energy: -37.223
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.002
local terms energy: -54.656285
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.974
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: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -86.698086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.698086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.698086 (E_RNA)
where:
Base-Base interactions energy: -42.904
where: short stacking energy: -32.834
Base-Backbone interact. energy: 1.021
local terms energy: -44.815309
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -80.902965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.902965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.902965 (E_RNA)
where:
Base-Base interactions energy: -32.313
where: short stacking energy: -15.123
Base-Backbone interact. energy: 0.870
local terms energy: -49.459786
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -223.339082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.339082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.339082 (E_RNA)
where:
Base-Base interactions energy: -148.249
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.673
local terms energy: -74.417005
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -226.277940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.277940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.277940 (E_RNA)
where:
Base-Base interactions energy: -143.776
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.016
local terms energy: -82.486431
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -21.530
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: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -194.157749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.157749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.157749 (E_RNA)
where:
Base-Base interactions energy: -128.816
where: short stacking energy: -55.107
Base-Backbone interact. energy: -0.172
local terms energy: -65.169814
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -213.484062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.484062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.484062 (E_RNA)
where:
Base-Base interactions energy: -150.013
where: short stacking energy: -58.678
Base-Backbone interact. energy: 1.393
local terms energy: -64.863521
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -201.018737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.018737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.018737 (E_RNA)
where:
Base-Base interactions energy: -128.303
where: short stacking energy: -56.436
Base-Backbone interact. energy: -0.007
local terms energy: -72.708794
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -96.545498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.545498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.545498 (E_RNA)
where:
Base-Base interactions energy: -39.635
where: short stacking energy: -35.073
Base-Backbone interact. energy: -0.336
local terms energy: -56.573793
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -93.968603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.968603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.968603 (E_RNA)
where:
Base-Base interactions energy: -35.897
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.084
local terms energy: -57.987713
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -5.964
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: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -92.862706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.862706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.862706 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -32.586
Base-Backbone interact. energy: 0.092
local terms energy: -57.291923
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -77.653792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.653792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.653792 (E_RNA)
where:
Base-Base interactions energy: -33.529
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.929
local terms energy: -43.196063
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -77.019999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.019999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.019999 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -28.402
Base-Backbone interact. energy: -0.231
local terms energy: -43.928884
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -7.941
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -226.090051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.090051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.090051 (E_RNA)
where:
Base-Base interactions energy: -143.445
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.344
local terms energy: -82.300556
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -23.436
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: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -218.784587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.784587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.784587 (E_RNA)
where:
Base-Base interactions energy: -141.197
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.067
local terms energy: -77.521235
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -218.096712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.096712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.096712 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.739
local terms energy: -74.872698
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -205.297675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.297675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.297675 (E_RNA)
where:
Base-Base interactions energy: -135.358
where: short stacking energy: -55.579
Base-Backbone interact. energy: 0.398
local terms energy: -70.337734
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -200.416128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.416128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.416128 (E_RNA)
where:
Base-Base interactions energy: -142.419
where: short stacking energy: -48.960
Base-Backbone interact. energy: -1.969
local terms energy: -56.028460
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: 0.037
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -99.128261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.128261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.128261 (E_RNA)
where:
Base-Base interactions energy: -46.713
where: short stacking energy: -41.190
Base-Backbone interact. energy: -0.062
local terms energy: -52.353579
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -107.120911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.120911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.120911 (E_RNA)
where:
Base-Base interactions energy: -42.684
where: short stacking energy: -42.684
Base-Backbone interact. energy: 0.158
local terms energy: -64.594683
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -9.224
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: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -99.038541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.038541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.038541 (E_RNA)
where:
Base-Base interactions energy: -41.904
where: short stacking energy: -37.760
Base-Backbone interact. energy: -0.018
local terms energy: -57.116324
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -80.636769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.636769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.636769 (E_RNA)
where:
Base-Base interactions energy: -29.094
where: short stacking energy: -27.921
Base-Backbone interact. energy: 0.407
local terms energy: -51.949626
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -1.445
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: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -79.000767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.000767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.000767 (E_RNA)
where:
Base-Base interactions energy: -23.338
where: short stacking energy: -21.369
Base-Backbone interact. energy: -0.098
local terms energy: -55.565137
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -217.847997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.847997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.847997 (E_RNA)
where:
Base-Base interactions energy: -141.557
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.370
local terms energy: -75.921389
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -224.815885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.815885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.815885 (E_RNA)
where:
Base-Base interactions energy: -143.287
where: short stacking energy: -70.018
Base-Backbone interact. energy: -0.968
local terms energy: -80.561527
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -11.367
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: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -212.239629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.239629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.239629 (E_RNA)
where:
Base-Base interactions energy: -145.758
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.030
local terms energy: -66.451402
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -191.905443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.905443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.905443 (E_RNA)
where:
Base-Base interactions energy: -131.641
where: short stacking energy: -50.679
Base-Backbone interact. energy: -1.502
local terms energy: -58.761599
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -191.670898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.670898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.670898 (E_RNA)
where:
Base-Base interactions energy: -128.743
where: short stacking energy: -50.118
Base-Backbone interact. energy: -0.129
local terms energy: -62.799146
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -9.695
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: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -101.955725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.955725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.955725 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -37.737
Base-Backbone interact. energy: -0.061
local terms energy: -64.157758
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -10.964
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: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -97.206961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.206961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.206961 (E_RNA)
where:
Base-Base interactions energy: -39.199
where: short stacking energy: -37.006
Base-Backbone interact. energy: 0.302
local terms energy: -58.310180
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -77.903363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.903363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.903363 (E_RNA)
where:
Base-Base interactions energy: -37.863
where: short stacking energy: -32.189
Base-Backbone interact. energy: -0.111
local terms energy: -39.930298
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -1.918
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: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -79.097088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.097088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.097088 (E_RNA)
where:
Base-Base interactions energy: -30.168
where: short stacking energy: -23.435
Base-Backbone interact. energy: 0.398
local terms energy: -49.326895
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.434
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: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -74.989306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.989306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.989306 (E_RNA)
where:
Base-Base interactions energy: -24.050
where: short stacking energy: -19.259
Base-Backbone interact. energy: -0.242
local terms energy: -50.696892
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -2.762
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: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -206.035530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.035530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.035530 (E_RNA)
where:
Base-Base interactions energy: -136.955
where: short stacking energy: -59.007
Base-Backbone interact. energy: -0.469
local terms energy: -68.611071
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -223.215281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.215281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.215281 (E_RNA)
where:
Base-Base interactions energy: -141.792
where: short stacking energy: -69.241
Base-Backbone interact. energy: -0.590
local terms energy: -80.832841
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -11.599
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: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -218.786469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.786469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.786469 (E_RNA)
where:
Base-Base interactions energy: -142.373
where: short stacking energy: -72.370
Base-Backbone interact. energy: -0.052
local terms energy: -76.361396
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -11.085
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: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -202.394230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.394230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.394230 (E_RNA)
where:
Base-Base interactions energy: -136.708
where: short stacking energy: -59.781
Base-Backbone interact. energy: 0.752
local terms energy: -66.437394
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -205.952553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.952553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.952553 (E_RNA)
where:
Base-Base interactions energy: -133.807
where: short stacking energy: -62.786
Base-Backbone interact. energy: -0.044
local terms energy: -72.101005
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -117.641392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.641392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.641392 (E_RNA)
where:
Base-Base interactions energy: -53.964
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.108
local terms energy: -63.569729
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -86.460092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.460092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.460092 (E_RNA)
where:
Base-Base interactions energy: -39.194
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.185
local terms energy: -47.081131
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -86.884005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884005 (E_RNA)
where:
Base-Base interactions energy: -39.373
where: short stacking energy: -18.565
Base-Backbone interact. energy: -0.027
local terms energy: -47.484012
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -10.993
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: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -82.690480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.690480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.690480 (E_RNA)
where:
Base-Base interactions energy: -28.606
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.174
local terms energy: -53.910885
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -4.761
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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -91.498691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.498691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.498691 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -25.803
Base-Backbone interact. energy: -0.262
local terms energy: -57.450739
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -228.010410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.010410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.010410 (E_RNA)
where:
Base-Base interactions energy: -145.784
where: short stacking energy: -71.866
Base-Backbone interact. energy: -0.118
local terms energy: -82.108755
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -208.123649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.123649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.123649 (E_RNA)
where:
Base-Base interactions energy: -143.709
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.066
local terms energy: -64.348869
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -216.137102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.137102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.137102 (E_RNA)
where:
Base-Base interactions energy: -140.338
where: short stacking energy: -65.333
Base-Backbone interact. energy: -0.134
local terms energy: -75.665545
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.206
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: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -203.387402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.387402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.387402 (E_RNA)
where:
Base-Base interactions energy: -144.028
where: short stacking energy: -59.073
Base-Backbone interact. energy: -0.258
local terms energy: -59.101096
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -11.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -208.482101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.482101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.482101 (E_RNA)
where:
Base-Base interactions energy: -131.150
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.647
local terms energy: -76.685199
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -116.499191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.499191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.499191 (E_RNA)
where:
Base-Base interactions energy: -54.543
where: short stacking energy: -45.512
Base-Backbone interact. energy: -1.028
local terms energy: -60.928328
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -101.094926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.094926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.094926 (E_RNA)
where:
Base-Base interactions energy: -49.918
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.579
local terms energy: -50.598761
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -83.707139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.707139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.707139 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -29.225
Base-Backbone interact. energy: -0.371
local terms energy: -40.505880
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -9.680
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: 3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -84.652181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.652181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.652181 (E_RNA)
where:
Base-Base interactions energy: -31.744
where: short stacking energy: -28.382
Base-Backbone interact. energy: -0.208
local terms energy: -52.700139
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -71.242486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.242486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.242486 (E_RNA)
where:
Base-Base interactions energy: -27.033
where: short stacking energy: -18.910
Base-Backbone interact. energy: -0.428
local terms energy: -43.780960
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: 3.036
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: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -224.101678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.101678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.101678 (E_RNA)
where:
Base-Base interactions energy: -147.847
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.825
local terms energy: -75.430009
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -10.060
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: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -220.650221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.650221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.650221 (E_RNA)
where:
Base-Base interactions energy: -138.246
where: short stacking energy: -65.619
Base-Backbone interact. energy: -0.477
local terms energy: -81.927046
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -14.041
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: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -203.113139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.113139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.113139 (E_RNA)
where:
Base-Base interactions energy: -142.609
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.216
local terms energy: -60.288047
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -204.160873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.160873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.160873 (E_RNA)
where:
Base-Base interactions energy: -138.017
where: short stacking energy: -65.325
Base-Backbone interact. energy: 1.436
local terms energy: -67.579389
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -194.747810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.747810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.747810 (E_RNA)
where:
Base-Base interactions energy: -126.019
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.498
local terms energy: -68.230304
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -93.044281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.044281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.044281 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -35.761
Base-Backbone interact. energy: -0.584
local terms energy: -55.352353
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -96.501940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.501940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.501940 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -38.655
Base-Backbone interact. energy: -0.167
local terms energy: -56.272483
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -83.680422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.680422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.680422 (E_RNA)
where:
Base-Base interactions energy: -35.597
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.198
local terms energy: -47.885370
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -9.857
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: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -86.852491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.852491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.852491 (E_RNA)
where:
Base-Base interactions energy: -33.143
where: short stacking energy: -26.758
Base-Backbone interact. energy: -0.499
local terms energy: -53.210058
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -71.285304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.285304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.285304 (E_RNA)
where:
Base-Base interactions energy: -21.668
where: short stacking energy: -21.038
Base-Backbone interact. energy: -0.157
local terms energy: -49.459953
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: 4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -226.283338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.283338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.283338 (E_RNA)
where:
Base-Base interactions energy: -147.345
where: short stacking energy: -72.794
Base-Backbone interact. energy: -0.263
local terms energy: -78.675580
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -223.012927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.012927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.012927 (E_RNA)
where:
Base-Base interactions energy: -149.635
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.001
local terms energy: -73.376441
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -22.855
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: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -202.248966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.248966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.248966 (E_RNA)
where:
Base-Base interactions energy: -139.051
where: short stacking energy: -57.206
Base-Backbone interact. energy: 0.108
local terms energy: -63.306274
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -12.279
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: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -201.522621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.522621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.522621 (E_RNA)
where:
Base-Base interactions energy: -130.364
where: short stacking energy: -57.358
Base-Backbone interact. energy: -0.014
local terms energy: -71.144349
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -181.905840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.905840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.905840 (E_RNA)
where:
Base-Base interactions energy: -124.334
where: short stacking energy: -43.217
Base-Backbone interact. energy: -0.351
local terms energy: -57.220591
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -95.694678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.694678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.694678 (E_RNA)
where:
Base-Base interactions energy: -47.967
where: short stacking energy: -31.680
Base-Backbone interact. energy: -0.460
local terms energy: -47.268020
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -4.686
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: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -99.237397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.237397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.237397 (E_RNA)
where:
Base-Base interactions energy: -49.490
where: short stacking energy: -25.208
Base-Backbone interact. energy: -0.881
local terms energy: -48.866308
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: 0.462
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: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -88.764639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.764639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.764639 (E_RNA)
where:
Base-Base interactions energy: -34.706
where: short stacking energy: -33.432
Base-Backbone interact. energy: 0.203
local terms energy: -54.261489
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -7.095
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: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -85.445718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.445718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.445718 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -21.877
Base-Backbone interact. energy: -0.050
local terms energy: -56.322164
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -3.583
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: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -76.315414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.315414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.315414 (E_RNA)
where:
Base-Base interactions energy: -26.838
where: short stacking energy: -26.695
Base-Backbone interact. energy: -0.236
local terms energy: -49.240780
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -222.749178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.749178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.749178 (E_RNA)
where:
Base-Base interactions energy: -145.869
where: short stacking energy: -66.483
Base-Backbone interact. energy: 0.816
local terms energy: -77.696309
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -21.876
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -197.156814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.156814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.156814 (E_RNA)
where:
Base-Base interactions energy: -135.004
where: short stacking energy: -62.368
Base-Backbone interact. energy: -1.080
local terms energy: -61.072617
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -15.910
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: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -219.760155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.760155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.760155 (E_RNA)
where:
Base-Base interactions energy: -147.730
where: short stacking energy: -69.174
Base-Backbone interact. energy: -0.881
local terms energy: -71.149356
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -208.984086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.984086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.984086 (E_RNA)
where:
Base-Base interactions energy: -136.133
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.001
local terms energy: -72.850016
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -207.337628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.337628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.337628 (E_RNA)
where:
Base-Base interactions energy: -142.561
where: short stacking energy: -54.227
Base-Backbone interact. energy: -0.866
local terms energy: -63.910864
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -15.615
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: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -105.546647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.546647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.546647 (E_RNA)
where:
Base-Base interactions energy: -39.875
where: short stacking energy: -36.310
Base-Backbone interact. energy: -0.068
local terms energy: -65.604142
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -102.320358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.320358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.320358 (E_RNA)
where:
Base-Base interactions energy: -52.699
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.308
local terms energy: -49.312918
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -4.562
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: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -103.890793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.890793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.890793 (E_RNA)
where:
Base-Base interactions energy: -46.096
where: short stacking energy: -46.096
Base-Backbone interact. energy: -0.154
local terms energy: -57.640903
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -82.411739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.411739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.411739 (E_RNA)
where:
Base-Base interactions energy: -36.716
where: short stacking energy: -20.835
Base-Backbone interact. energy: -0.202
local terms energy: -45.493769
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -9.589
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: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -78.016571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.016571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.016571 (E_RNA)
where:
Base-Base interactions energy: -31.594
where: short stacking energy: -28.542
Base-Backbone interact. energy: -0.268
local terms energy: -46.154722
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -226.641728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.641728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.641728 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -69.711
Base-Backbone interact. energy: -1.171
local terms energy: -79.138270
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -217.870749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.870749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.870749 (E_RNA)
where:
Base-Base interactions energy: -155.491
where: short stacking energy: -65.513
Base-Backbone interact. energy: -0.010
local terms energy: -62.369874
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -215.342366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.342366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.342366 (E_RNA)
where:
Base-Base interactions energy: -143.179
where: short stacking energy: -67.480
Base-Backbone interact. energy: -0.294
local terms energy: -71.869245
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -215.949921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.949921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.949921 (E_RNA)
where:
Base-Base interactions energy: -142.007
where: short stacking energy: -71.127
Base-Backbone interact. energy: -0.040
local terms energy: -73.903464
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -208.143191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.143191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.143191 (E_RNA)
where:
Base-Base interactions energy: -140.197
where: short stacking energy: -55.852
Base-Backbone interact. energy: 1.509
local terms energy: -69.455680
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -100.280533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.280533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.280533 (E_RNA)
where:
Base-Base interactions energy: -55.640
where: short stacking energy: -33.535
Base-Backbone interact. energy: -0.426
local terms energy: -44.214867
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -95.223462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.223462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.223462 (E_RNA)
where:
Base-Base interactions energy: -47.337
where: short stacking energy: -36.147
Base-Backbone interact. energy: -0.166
local terms energy: -47.720427
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -91.646551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.646551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.646551 (E_RNA)
where:
Base-Base interactions energy: -30.272
where: short stacking energy: -30.272
Base-Backbone interact. energy: -0.281
local terms energy: -61.093576
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -97.067996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.067996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.067996 (E_RNA)
where:
Base-Base interactions energy: -41.190
where: short stacking energy: -39.443
Base-Backbone interact. energy: -0.044
local terms energy: -55.834345
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.999
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: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -81.015044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.015044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.015044 (E_RNA)
where:
Base-Base interactions energy: -37.672
where: short stacking energy: -12.637
Base-Backbone interact. energy: -0.595
local terms energy: -42.748503
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -219.869088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.869088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.869088 (E_RNA)
where:
Base-Base interactions energy: -142.581
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.445
local terms energy: -76.843584
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -20.285
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: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -218.028856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.028856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.028856 (E_RNA)
where:
Base-Base interactions energy: -143.048
where: short stacking energy: -70.458
Base-Backbone interact. energy: -0.041
local terms energy: -74.939843
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -212.802998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.802998 (E_RNA)
where:
Base-Base interactions energy: -142.504
where: short stacking energy: -52.376
Base-Backbone interact. energy: 0.565
local terms energy: -70.864430
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -201.521486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.521486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.521486 (E_RNA)
where:
Base-Base interactions energy: -129.762
where: short stacking energy: -52.471
Base-Backbone interact. energy: 0.319
local terms energy: -72.078551
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -188.473449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.473449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.473449 (E_RNA)
where:
Base-Base interactions energy: -124.125
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.039
local terms energy: -64.309474
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -125.956441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.956441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.956441 (E_RNA)
where:
Base-Base interactions energy: -72.324
where: short stacking energy: -42.676
Base-Backbone interact. energy: -0.051
local terms energy: -53.581100
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -9.735
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: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -105.795818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.795818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.795818 (E_RNA)
where:
Base-Base interactions energy: -53.078
where: short stacking energy: -29.979
Base-Backbone interact. energy: 0.089
local terms energy: -52.806959
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -93.288310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.288310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.288310 (E_RNA)
where:
Base-Base interactions energy: -36.002
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.373
local terms energy: -56.913718
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -82.997047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.997047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.997047 (E_RNA)
where:
Base-Base interactions energy: -41.858
where: short stacking energy: -25.527
Base-Backbone interact. energy: -0.539
local terms energy: -40.599835
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: 1.233
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: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -79.525809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.525809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.525809 (E_RNA)
where:
Base-Base interactions energy: -29.484
where: short stacking energy: -29.484
Base-Backbone interact. energy: -0.420
local terms energy: -49.621706
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -221.973140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.973140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.973140 (E_RNA)
where:
Base-Base interactions energy: -144.758
where: short stacking energy: -74.471
Base-Backbone interact. energy: -0.002
local terms energy: -77.213632
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -221.202895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.202895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.202895 (E_RNA)
where:
Base-Base interactions energy: -147.041
where: short stacking energy: -58.625
Base-Backbone interact. energy: -0.023
local terms energy: -74.138954
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -210.458072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.458072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.458072 (E_RNA)
where:
Base-Base interactions energy: -137.271
where: short stacking energy: -64.004
Base-Backbone interact. energy: -0.742
local terms energy: -72.445807
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -214.601193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.601193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.601193 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.889
local terms energy: -80.559596
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -158.313097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.313097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.313097 (E_RNA)
where:
Base-Base interactions energy: -103.841
where: short stacking energy: -45.538
Base-Backbone interact. energy: -0.117
local terms energy: -54.355113
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -88.919641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.919641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.919641 (E_RNA)
where:
Base-Base interactions energy: -45.840
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.229
local terms energy: -42.850492
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -119.253421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.253421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.253421 (E_RNA)
where:
Base-Base interactions energy: -65.500
where: short stacking energy: -37.511
Base-Backbone interact. energy: -0.099
local terms energy: -53.655280
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -83.275774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.275774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.275774 (E_RNA)
where:
Base-Base interactions energy: -30.762
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.327
local terms energy: -52.186092
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -1.528
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: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -84.890150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.890150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.890150 (E_RNA)
where:
Base-Base interactions energy: -32.740
where: short stacking energy: -32.412
Base-Backbone interact. energy: -0.120
local terms energy: -52.031036
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -112.525041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.525041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.525041 (E_RNA)
where:
Base-Base interactions energy: -63.875
where: short stacking energy: -25.031
Base-Backbone interact. energy: 0.194
local terms energy: -48.844920
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -234.330305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.330305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.330305 (E_RNA)
where:
Base-Base interactions energy: -152.344
where: short stacking energy: -68.455
Base-Backbone interact. energy: -0.005
local terms energy: -81.981046
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -215.385015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.385015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.385015 (E_RNA)
where:
Base-Base interactions energy: -142.849
where: short stacking energy: -47.158
Base-Backbone interact. energy: -1.037
local terms energy: -71.499677
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -217.042148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.042148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.042148 (E_RNA)
where:
Base-Base interactions energy: -138.298
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.048
local terms energy: -78.695456
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -212.965396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.965396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.965396 (E_RNA)
where:
Base-Base interactions energy: -141.035
where: short stacking energy: -63.737
Base-Backbone interact. energy: -0.312
local terms energy: -71.618605
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -9.088
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: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -167.906865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.906865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.906865 (E_RNA)
where:
Base-Base interactions energy: -99.806
where: short stacking energy: -47.600
Base-Backbone interact. energy: -0.806
local terms energy: -67.294274
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -123.317904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.317904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.317904 (E_RNA)
where:
Base-Base interactions energy: -58.222
where: short stacking energy: -44.949
Base-Backbone interact. energy: -0.297
local terms energy: -64.799298
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -10.955
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: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -121.818663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.818663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.818663 (E_RNA)
where:
Base-Base interactions energy: -71.953
where: short stacking energy: -22.610
Base-Backbone interact. energy: -1.173
local terms energy: -48.693537
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -87.229706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229706 (E_RNA)
where:
Base-Base interactions energy: -41.688
where: short stacking energy: -36.238
Base-Backbone interact. energy: 1.308
local terms energy: -46.849252
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -2.806
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -88.734133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.734133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.734133 (E_RNA)
where:
Base-Base interactions energy: -42.793
where: short stacking energy: -16.819
Base-Backbone interact. energy: -0.274
local terms energy: -45.667341
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -7.579
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: 447
Temperature: 1.350000
Total energy: -88.615293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615293 (E_RNA)
where:
Base-Base interactions energy: -45.107
where: short stacking energy: -41.157
Base-Backbone interact. energy: 1.361
local terms energy: -44.869062
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -6.288
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: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -229.965150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.965150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.965150 (E_RNA)
where:
Base-Base interactions energy: -149.255
where: short stacking energy: -73.698
Base-Backbone interact. energy: -0.025
local terms energy: -80.685003
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -215.682821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.682821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.682821 (E_RNA)
where:
Base-Base interactions energy: -142.219
where: short stacking energy: -54.530
Base-Backbone interact. energy: -0.709
local terms energy: -72.755297
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -8.529
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: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -217.787673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.787673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.787673 (E_RNA)
where:
Base-Base interactions energy: -144.280
where: short stacking energy: -68.264
Base-Backbone interact. energy: -0.300
local terms energy: -73.207991
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -209.876623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.876623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.876623 (E_RNA)
where:
Base-Base interactions energy: -145.861
where: short stacking energy: -54.699
Base-Backbone interact. energy: -0.806
local terms energy: -63.209695
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -6.699
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: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -166.108243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.108243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.108243 (E_RNA)
where:
Base-Base interactions energy: -99.843
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.308
local terms energy: -65.957530
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -6.888
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: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -92.024337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.024337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.024337 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -29.927
Base-Backbone interact. energy: -0.111
local terms energy: -56.493941
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -83.543434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.543434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.543434 (E_RNA)
where:
Base-Base interactions energy: -34.234
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.376
local terms energy: -48.932914
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -128.096252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.096252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.096252 (E_RNA)
where:
Base-Base interactions energy: -68.933
where: short stacking energy: -40.715
Base-Backbone interact. energy: -0.182
local terms energy: -58.980443
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -10.843
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: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -75.398435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.398435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.398435 (E_RNA)
where:
Base-Base interactions energy: -27.655
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.107
local terms energy: -47.636334
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -1.645
tors. eta vs tors. theta energy: -0.335
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: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -72.810851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.810851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.810851 (E_RNA)
where:
Base-Base interactions energy: -23.443
where: short stacking energy: -19.324
Base-Backbone interact. energy: -0.291
local terms energy: -49.077084
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -9.859
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: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -227.822434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.822434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.822434 (E_RNA)
where:
Base-Base interactions energy: -146.813
where: short stacking energy: -69.874
Base-Backbone interact. energy: -0.963
local terms energy: -80.046926
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -216.708448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.708448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.708448 (E_RNA)
where:
Base-Base interactions energy: -143.995
where: short stacking energy: -66.701
Base-Backbone interact. energy: -0.007
local terms energy: -72.706291
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -8.287
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: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -217.913710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.913710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.913710 (E_RNA)
where:
Base-Base interactions energy: -148.147
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.394
local terms energy: -69.373265
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -202.523736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.523736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.523736 (E_RNA)
where:
Base-Base interactions energy: -130.187
where: short stacking energy: -53.223
Base-Backbone interact. energy: 0.069
local terms energy: -72.405704
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -156.908925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.908925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.908925 (E_RNA)
where:
Base-Base interactions energy: -93.998
where: short stacking energy: -46.283
Base-Backbone interact. energy: -0.331
local terms energy: -62.579339
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -90.919309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.919309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.919309 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -29.528
Base-Backbone interact. energy: -0.172
local terms energy: -50.380464
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -100.072735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.072735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.072735 (E_RNA)
where:
Base-Base interactions energy: -46.752
where: short stacking energy: -23.696
Base-Backbone interact. energy: -2.366
local terms energy: -50.954260
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -136.600683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.600683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.600683 (E_RNA)
where:
Base-Base interactions energy: -85.032
where: short stacking energy: -39.980
Base-Backbone interact. energy: 2.162
local terms energy: -53.730735
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -78.297686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.297686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.297686 (E_RNA)
where:
Base-Base interactions energy: -24.525
where: short stacking energy: -24.487
Base-Backbone interact. energy: 2.433
local terms energy: -56.205944
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -76.217325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.217325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.217325 (E_RNA)
where:
Base-Base interactions energy: -30.708
where: short stacking energy: -30.594
Base-Backbone interact. energy: -0.109
local terms energy: -45.399720
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -227.292819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.292819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.292819 (E_RNA)
where:
Base-Base interactions energy: -149.480
where: short stacking energy: -65.326
Base-Backbone interact. energy: -1.075
local terms energy: -76.738005
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -225.377756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.377756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.377756 (E_RNA)
where:
Base-Base interactions energy: -143.513
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.054
local terms energy: -81.810845
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -7.611
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: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -208.211945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.211945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.211945 (E_RNA)
where:
Base-Base interactions energy: -144.572
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.755
local terms energy: -62.884657
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -11.278
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: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -212.460854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.460854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.460854 (E_RNA)
where:
Base-Base interactions energy: -132.552
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.221
local terms energy: -79.687458
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -177.442280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.442280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.442280 (E_RNA)
where:
Base-Base interactions energy: -104.694
where: short stacking energy: -51.837
Base-Backbone interact. energy: -1.093
local terms energy: -71.655300
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -92.019707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.019707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.019707 (E_RNA)
where:
Base-Base interactions energy: -43.825
where: short stacking energy: -30.982
Base-Backbone interact. energy: 0.710
local terms energy: -48.904125
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -139.475098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.475098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.475098 (E_RNA)
where:
Base-Base interactions energy: -81.863
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.890
local terms energy: -56.721649
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -97.956873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.956873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.956873 (E_RNA)
where:
Base-Base interactions energy: -47.655
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.279
local terms energy: -50.022471
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -79.076553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.076553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.076553 (E_RNA)
where:
Base-Base interactions energy: -28.384
where: short stacking energy: -28.384
Base-Backbone interact. energy: -0.093
local terms energy: -50.600478
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -82.159966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.159966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.159966 (E_RNA)
where:
Base-Base interactions energy: -40.835
where: short stacking energy: -16.095
Base-Backbone interact. energy: 1.178
local terms energy: -42.502659
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -229.443966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.443966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.443966 (E_RNA)
where:
Base-Base interactions energy: -147.718
where: short stacking energy: -75.660
Base-Backbone interact. energy: -0.671
local terms energy: -81.055184
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -22.751
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: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -220.132039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.132039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.132039 (E_RNA)
where:
Base-Base interactions energy: -142.928
where: short stacking energy: -58.523
Base-Backbone interact. energy: -1.190
local terms energy: -76.014563
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -207.066713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.066713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.066713 (E_RNA)
where:
Base-Base interactions energy: -134.567
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.549
local terms energy: -71.950692
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -203.770000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.770000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.770000 (E_RNA)
where:
Base-Base interactions energy: -132.795
where: short stacking energy: -68.213
Base-Backbone interact. energy: 0.379
local terms energy: -71.354334
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -204.463256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.463256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.463256 (E_RNA)
where:
Base-Base interactions energy: -131.213
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.001
local terms energy: -73.249769
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -18.264
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: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -123.773119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.773119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.773119 (E_RNA)
where:
Base-Base interactions energy: -70.040
where: short stacking energy: -42.682
Base-Backbone interact. energy: -0.087
local terms energy: -53.646572
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -8.072
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: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -126.761076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.761076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.761076 (E_RNA)
where:
Base-Base interactions energy: -74.932
where: short stacking energy: -43.434
Base-Backbone interact. energy: -0.211
local terms energy: -51.617888
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -7.956
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -10.523
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: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -84.924842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924842 (E_RNA)
where:
Base-Base interactions energy: -37.073
where: short stacking energy: -37.073
Base-Backbone interact. energy: -0.001
local terms energy: -47.850855
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -11.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -83.056493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.056493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.056493 (E_RNA)
where:
Base-Base interactions energy: -33.119
where: short stacking energy: -13.400
Base-Backbone interact. energy: -0.465
local terms energy: -49.472625
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: 2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -70.418438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.418438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.418438 (E_RNA)
where:
Base-Base interactions energy: -26.142
where: short stacking energy: -17.061
Base-Backbone interact. energy: -0.406
local terms energy: -43.871030
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: 4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -228.680953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.680953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.680953 (E_RNA)
where:
Base-Base interactions energy: -147.212
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.010
local terms energy: -81.459634
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -12.540
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: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -218.923159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.923159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.923159 (E_RNA)
where:
Base-Base interactions energy: -150.447
where: short stacking energy: -64.326
Base-Backbone interact. energy: 0.637
local terms energy: -69.112983
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -214.624663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.624663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.624663 (E_RNA)
where:
Base-Base interactions energy: -141.058
where: short stacking energy: -63.536
Base-Backbone interact. energy: -1.287
local terms energy: -72.279994
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -11.546
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: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -204.096803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.096803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.096803 (E_RNA)
where:
Base-Base interactions energy: -137.936
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.049
local terms energy: -66.112088
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -9.693
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: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -152.678284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.678284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.678284 (E_RNA)
where:
Base-Base interactions energy: -81.847
where: short stacking energy: -49.930
Base-Backbone interact. energy: -0.069
local terms energy: -70.762370
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -200.756527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.756527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.756527 (E_RNA)
where:
Base-Base interactions energy: -129.001
where: short stacking energy: -55.119
Base-Backbone interact. energy: -1.020
local terms energy: -70.735885
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -104.102770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.102770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.102770 (E_RNA)
where:
Base-Base interactions energy: -44.591
where: short stacking energy: -40.733
Base-Backbone interact. energy: -0.157
local terms energy: -59.354193
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -7.793
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -95.883543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.883543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.883543 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -24.713
Base-Backbone interact. energy: -1.275
local terms energy: -57.559821
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -87.196835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.196835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.196835 (E_RNA)
where:
Base-Base interactions energy: -46.719
where: short stacking energy: -14.994
Base-Backbone interact. energy: 1.256
local terms energy: -41.733702
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: 4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -77.798358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.798358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.798358 (E_RNA)
where:
Base-Base interactions energy: -33.881
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.338
local terms energy: -43.580093
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -7.183
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -218.467740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.467740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.467740 (E_RNA)
where:
Base-Base interactions energy: -140.599
where: short stacking energy: -67.247
Base-Backbone interact. energy: -0.083
local terms energy: -77.786185
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -214.192101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.192101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.192101 (E_RNA)
where:
Base-Base interactions energy: -139.907
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.816
local terms energy: -73.469288
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -18.682
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: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -216.624360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.624360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.624360 (E_RNA)
where:
Base-Base interactions energy: -137.782
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.860
local terms energy: -77.982657
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -205.236679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.236679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.236679 (E_RNA)
where:
Base-Base interactions energy: -138.652
where: short stacking energy: -59.143
Base-Backbone interact. energy: 0.045
local terms energy: -66.629908
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -145.912135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.912135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.912135 (E_RNA)
where:
Base-Base interactions energy: -86.204
where: short stacking energy: -43.831
Base-Backbone interact. energy: -0.435
local terms energy: -59.273304
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -182.476524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.476524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.476524 (E_RNA)
where:
Base-Base interactions energy: -119.697
where: short stacking energy: -47.732
Base-Backbone interact. energy: -0.983
local terms energy: -61.797230
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -87.185996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.185996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.185996 (E_RNA)
where:
Base-Base interactions energy: -33.891
where: short stacking energy: -32.134
Base-Backbone interact. energy: -0.089
local terms energy: -53.205920
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -10.075
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: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -87.221853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.221853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.221853 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -32.345
Base-Backbone interact. energy: -0.087
local terms energy: -54.790406
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -79.294182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.294182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.294182 (E_RNA)
where:
Base-Base interactions energy: -26.595
where: short stacking energy: -22.227
Base-Backbone interact. energy: -0.451
local terms energy: -52.248706
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -73.572789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.572789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.572789 (E_RNA)
where:
Base-Base interactions energy: -26.040
where: short stacking energy: -19.708
Base-Backbone interact. energy: 1.198
local terms energy: -48.731628
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -230.495393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.495393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.495393 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -73.879
Base-Backbone interact. energy: -0.000
local terms energy: -84.316430
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -219.622578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.622578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.622578 (E_RNA)
where:
Base-Base interactions energy: -152.137
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.016
local terms energy: -67.470490
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -19.018
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: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -216.521021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.521021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.521021 (E_RNA)
where:
Base-Base interactions energy: -139.742
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.082
local terms energy: -76.697503
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -20.143
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: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -207.548750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.548750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.548750 (E_RNA)
where:
Base-Base interactions energy: -132.847
where: short stacking energy: -50.391
Base-Backbone interact. energy: -2.195
local terms energy: -72.506398
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -198.260356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.260356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.260356 (E_RNA)
where:
Base-Base interactions energy: -131.538
where: short stacking energy: -62.332
Base-Backbone interact. energy: -0.124
local terms energy: -66.598763
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -136.872214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.872214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.872214 (E_RNA)
where:
Base-Base interactions energy: -92.250
where: short stacking energy: -43.247
Base-Backbone interact. energy: -1.304
local terms energy: -43.318095
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -0.984
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -101.588116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.588116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.588116 (E_RNA)
where:
Base-Base interactions energy: -33.358
where: short stacking energy: -33.358
Base-Backbone interact. energy: -0.015
local terms energy: -68.214570
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -11.535
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: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -81.630846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.630846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.630846 (E_RNA)
where:
Base-Base interactions energy: -29.332
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.037
local terms energy: -52.260990
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -90.898362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.898362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.898362 (E_RNA)
where:
Base-Base interactions energy: -47.399
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.376
local terms energy: -43.123743
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -7.013
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -73.306991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.306991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.306991 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -24.171
Base-Backbone interact. energy: -0.118
local terms energy: -35.568129
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -3.031
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: 2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -225.288726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.288726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.288726 (E_RNA)
where:
Base-Base interactions energy: -145.153
where: short stacking energy: -70.865
Base-Backbone interact. energy: -0.131
local terms energy: -80.004225
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -11.014
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: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -228.682092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.682092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.682092 (E_RNA)
where:
Base-Base interactions energy: -148.932
where: short stacking energy: -72.261
Base-Backbone interact. energy: -0.486
local terms energy: -79.264606
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -213.465418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.465418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.465418 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -66.148
Base-Backbone interact. energy: -0.894
local terms energy: -76.349948
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -208.886762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.886762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.886762 (E_RNA)
where:
Base-Base interactions energy: -137.506
where: short stacking energy: -67.234
Base-Backbone interact. energy: -0.001
local terms energy: -71.378940
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -203.646837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.646837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.646837 (E_RNA)
where:
Base-Base interactions energy: -137.195
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.068
local terms energy: -66.383917
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -13.157
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: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -93.867638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.867638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.867638 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -30.457
Base-Backbone interact. energy: -0.909
local terms energy: -51.113972
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: 1.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -103.584669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.584669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.584669 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -35.586
Base-Backbone interact. energy: -0.219
local terms energy: -52.820710
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -93.829830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.829830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.829830 (E_RNA)
where:
Base-Base interactions energy: -52.153
where: short stacking energy: -38.585
Base-Backbone interact. energy: 0.715
local terms energy: -42.391395
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -5.858
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -100.077695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.077695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.077695 (E_RNA)
where:
Base-Base interactions energy: -33.898
where: short stacking energy: -33.898
Base-Backbone interact. energy: 0.650
local terms energy: -66.829578
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -74.299081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.299081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.299081 (E_RNA)
where:
Base-Base interactions energy: -28.621
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.354
local terms energy: -45.324506
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -7.909
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: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -227.085227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.085227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.085227 (E_RNA)
where:
Base-Base interactions energy: -146.732
where: short stacking energy: -68.708
Base-Backbone interact. energy: -1.430
local terms energy: -78.922712
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -22.262
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -226.241324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.241324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.241324 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.025
local terms energy: -81.930190
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -8.946
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: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -220.752676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.752676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.752676 (E_RNA)
where:
Base-Base interactions energy: -144.336
where: short stacking energy: -71.517
Base-Backbone interact. energy: -0.598
local terms energy: -75.818440
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -208.579535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.579535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.579535 (E_RNA)
where:
Base-Base interactions energy: -133.760
where: short stacking energy: -56.524
Base-Backbone interact. energy: -0.087
local terms energy: -74.732924
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -196.069042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.069042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.069042 (E_RNA)
where:
Base-Base interactions energy: -129.976
where: short stacking energy: -50.195
Base-Backbone interact. energy: -0.745
local terms energy: -65.348188
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -123.310423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.310423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.310423 (E_RNA)
where:
Base-Base interactions energy: -63.986
where: short stacking energy: -35.100
Base-Backbone interact. energy: -0.137
local terms energy: -59.187967
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -6.071
flat angles P-C4'-P energy: -13.957
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: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -101.591039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.591039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.591039 (E_RNA)
where:
Base-Base interactions energy: -44.045
where: short stacking energy: -30.583
Base-Backbone interact. energy: -0.341
local terms energy: -57.204177
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -1.941
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: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -140.650754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.650754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.650754 (E_RNA)
where:
Base-Base interactions energy: -84.362
where: short stacking energy: -40.204
Base-Backbone interact. energy: -0.101
local terms energy: -56.188696
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -79.013901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.013901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.013901 (E_RNA)
where:
Base-Base interactions energy: -26.219
where: short stacking energy: -23.891
Base-Backbone interact. energy: -0.204
local terms energy: -52.590763
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -82.718398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.718398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.718398 (E_RNA)
where:
Base-Base interactions energy: -35.498
where: short stacking energy: -24.720
Base-Backbone interact. energy: -0.083
local terms energy: -47.137096
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.221
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: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -219.331077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.331077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.331077 (E_RNA)
where:
Base-Base interactions energy: -149.899
where: short stacking energy: -65.034
Base-Backbone interact. energy: -0.198
local terms energy: -69.233670
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -16.666
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: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -213.845463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.845463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.845463 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -63.668
Base-Backbone interact. energy: -1.071
local terms energy: -65.356150
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -18.045
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: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -206.812866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.812866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.812866 (E_RNA)
where:
Base-Base interactions energy: -134.069
where: short stacking energy: -54.344
Base-Backbone interact. energy: 0.120
local terms energy: -72.864193
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -19.567
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: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -202.085135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.085135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.085135 (E_RNA)
where:
Base-Base interactions energy: -135.259
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.021
local terms energy: -66.804827
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -7.848
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: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -203.912220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.912220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.912220 (E_RNA)
where:
Base-Base interactions energy: -130.815
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.698
local terms energy: -72.399246
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -115.008491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.008491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.008491 (E_RNA)
where:
Base-Base interactions energy: -56.738
where: short stacking energy: -42.238
Base-Backbone interact. energy: -1.030
local terms energy: -57.240351
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -92.740002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.740002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.740002 (E_RNA)
where:
Base-Base interactions energy: -34.952
where: short stacking energy: -34.543
Base-Backbone interact. energy: -0.183
local terms energy: -57.604465
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -130.534359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.534359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.534359 (E_RNA)
where:
Base-Base interactions energy: -77.416
where: short stacking energy: -45.233
Base-Backbone interact. energy: -0.258
local terms energy: -52.860280
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -9.985
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: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -72.670673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.670673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.670673 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -18.905
Base-Backbone interact. energy: -0.833
local terms energy: -38.023204
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: 3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -85.300198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.300198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.300198 (E_RNA)
where:
Base-Base interactions energy: -38.787
where: short stacking energy: -35.651
Base-Backbone interact. energy: 0.545
local terms energy: -47.057713
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -216.619704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.619704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.619704 (E_RNA)
where:
Base-Base interactions energy: -153.840
where: short stacking energy: -68.375
Base-Backbone interact. energy: -0.028
local terms energy: -62.751882
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -2.232
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -218.946323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.946323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.946323 (E_RNA)
where:
Base-Base interactions energy: -139.189
where: short stacking energy: -61.233
Base-Backbone interact. energy: -1.416
local terms energy: -78.341858
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -212.861477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.861477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.861477 (E_RNA)
where:
Base-Base interactions energy: -137.896
where: short stacking energy: -59.187
Base-Backbone interact. energy: 0.268
local terms energy: -75.233288
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -214.238267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.238267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.238267 (E_RNA)
where:
Base-Base interactions energy: -136.757
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.779
local terms energy: -76.703060
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -205.965347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.965347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.965347 (E_RNA)
where:
Base-Base interactions energy: -136.554
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.460
local terms energy: -68.950534
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.969
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: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -126.086395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.086395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.086395 (E_RNA)
where:
Base-Base interactions energy: -70.879
where: short stacking energy: -50.845
Base-Backbone interact. energy: -0.520
local terms energy: -54.687717
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -162.788347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.788347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.788347 (E_RNA)
where:
Base-Base interactions energy: -100.374
where: short stacking energy: -51.362
Base-Backbone interact. energy: -0.745
local terms energy: -61.669129
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -91.801208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.801208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.801208 (E_RNA)
where:
Base-Base interactions energy: -43.234
where: short stacking energy: -26.431
Base-Backbone interact. energy: -0.136
local terms energy: -48.430952
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -82.209836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.209836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.209836 (E_RNA)
where:
Base-Base interactions energy: -28.106
where: short stacking energy: -28.106
Base-Backbone interact. energy: -0.036
local terms energy: -54.067596
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -76.429206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.429206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.429206 (E_RNA)
where:
Base-Base interactions energy: -24.940
where: short stacking energy: -19.053
Base-Backbone interact. energy: -0.554
local terms energy: -50.934794
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -213.310964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.310964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.310964 (E_RNA)
where:
Base-Base interactions energy: -140.698
where: short stacking energy: -66.470
Base-Backbone interact. energy: -0.020
local terms energy: -72.593735
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -220.623555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.623555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.623555 (E_RNA)
where:
Base-Base interactions energy: -144.213
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.026
local terms energy: -76.385208
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -224.174164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.174164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.174164 (E_RNA)
where:
Base-Base interactions energy: -146.024
where: short stacking energy: -68.303
Base-Backbone interact. energy: -1.684
local terms energy: -76.465611
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -20.255
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: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -204.390713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.390713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.390713 (E_RNA)
where:
Base-Base interactions energy: -133.121
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.220
local terms energy: -71.050322
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -13.161
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: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -207.476298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.476298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.476298 (E_RNA)
where:
Base-Base interactions energy: -134.630
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.124
local terms energy: -72.722517
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -141.930841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.930841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.930841 (E_RNA)
where:
Base-Base interactions energy: -80.898
where: short stacking energy: -43.212
Base-Backbone interact. energy: -0.075
local terms energy: -60.957021
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -104.510869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.510869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.510869 (E_RNA)
where:
Base-Base interactions energy: -60.751
where: short stacking energy: -36.242
Base-Backbone interact. energy: 0.212
local terms energy: -43.972593
where:
bonds (distance) C4'-P energy: -6.588
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -1.416
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -80.135579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.135579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.135579 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -37.866
Base-Backbone interact. energy: 0.841
local terms energy: -41.366542
where:
bonds (distance) C4'-P energy: -8.632
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -6.459
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -70.508142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.508142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.508142 (E_RNA)
where:
Base-Base interactions energy: -25.432
where: short stacking energy: -25.432
Base-Backbone interact. energy: -0.071
local terms energy: -45.005695
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: 5.131
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: 459
Temperature: 1.350000
Total energy: -82.886971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.886971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.886971 (E_RNA)
where:
Base-Base interactions energy: -40.492
where: short stacking energy: -34.278
Base-Backbone interact. energy: 2.505
local terms energy: -44.900310
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -221.789117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.789117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789117 (E_RNA)
where:
Base-Base interactions energy: -141.796
where: short stacking energy: -70.181
Base-Backbone interact. energy: -0.731
local terms energy: -79.261330
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -213.691420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.691420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.691420 (E_RNA)
where:
Base-Base interactions energy: -142.544
where: short stacking energy: -62.645
Base-Backbone interact. energy: 0.052
local terms energy: -71.199519
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -7.836
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: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -210.737318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.737318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.737318 (E_RNA)
where:
Base-Base interactions energy: -144.940
where: short stacking energy: -55.265
Base-Backbone interact. energy: -0.640
local terms energy: -65.158226
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -201.796670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.796670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.796670 (E_RNA)
where:
Base-Base interactions energy: -132.846
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.403
local terms energy: -68.546792
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -202.448280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.448280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.448280 (E_RNA)
where:
Base-Base interactions energy: -132.736
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.729
local terms energy: -68.982756
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -173.488467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.488467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.488467 (E_RNA)
where:
Base-Base interactions energy: -109.570
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.094
local terms energy: -63.824057
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -99.519802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.519802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.519802 (E_RNA)
where:
Base-Base interactions energy: -44.790
where: short stacking energy: -24.874
Base-Backbone interact. energy: -0.128
local terms energy: -54.601387
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -87.522675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.522675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.522675 (E_RNA)
where:
Base-Base interactions energy: -44.130
where: short stacking energy: -26.858
Base-Backbone interact. energy: -1.383
local terms energy: -42.009762
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -83.946331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.946331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.946331 (E_RNA)
where:
Base-Base interactions energy: -30.410
where: short stacking energy: -29.285
Base-Backbone interact. energy: -0.022
local terms energy: -53.514617
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -108.337703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.337703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.337703 (E_RNA)
where:
Base-Base interactions energy: -57.007
where: short stacking energy: -24.009
Base-Backbone interact. energy: -0.236
local terms energy: -51.094503
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -228.620762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.620762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.620762 (E_RNA)
where:
Base-Base interactions energy: -155.944
where: short stacking energy: -68.337
Base-Backbone interact. energy: -0.001
local terms energy: -72.676510
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -219.271751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.271751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.271751 (E_RNA)
where:
Base-Base interactions energy: -145.517
where: short stacking energy: -64.716
Base-Backbone interact. energy: -0.000
local terms energy: -73.754299
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -209.198794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.198794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.198794 (E_RNA)
where:
Base-Base interactions energy: -138.449
where: short stacking energy: -74.176
Base-Backbone interact. energy: -0.000
local terms energy: -70.749312
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -207.227410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.227410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.227410 (E_RNA)
where:
Base-Base interactions energy: -139.007
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.006
local terms energy: -68.214946
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -202.892302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.892302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.892302 (E_RNA)
where:
Base-Base interactions energy: -134.280
where: short stacking energy: -61.493
Base-Backbone interact. energy: -0.340
local terms energy: -68.272922
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -168.276021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.276021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.276021 (E_RNA)
where:
Base-Base interactions energy: -116.307
where: short stacking energy: -47.970
Base-Backbone interact. energy: -0.085
local terms energy: -51.884056
where:
bonds (distance) C4'-P energy: -3.203
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -87.898351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.898351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.898351 (E_RNA)
where:
Base-Base interactions energy: -32.801
where: short stacking energy: -28.272
Base-Backbone interact. energy: -0.197
local terms energy: -54.900480
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -86.605605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.605605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.605605 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -32.031
Base-Backbone interact. energy: -0.960
local terms energy: -52.405074
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -10.388
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: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -96.856440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.856440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.856440 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.001
local terms energy: -54.620537
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -6.078
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: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -80.876021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.876021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.876021 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -28.778
Base-Backbone interact. energy: -0.159
local terms energy: -45.123897
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -10.105
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -5.607
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: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -227.105508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.105508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.105508 (E_RNA)
where:
Base-Base interactions energy: -152.524
where: short stacking energy: -69.932
Base-Backbone interact. energy: 1.383
local terms energy: -75.963601
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -220.827885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.827885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.827885 (E_RNA)
where:
Base-Base interactions energy: -138.884
where: short stacking energy: -68.700
Base-Backbone interact. energy: -1.154
local terms energy: -80.789978
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -20.592
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: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -223.859704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.859704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.859704 (E_RNA)
where:
Base-Base interactions energy: -148.009
where: short stacking energy: -55.639
Base-Backbone interact. energy: -1.210
local terms energy: -74.641300
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -208.241692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.241692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.241692 (E_RNA)
where:
Base-Base interactions energy: -135.226
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.888
local terms energy: -72.127697
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.047
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: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -201.032462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.032462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.032462 (E_RNA)
where:
Base-Base interactions energy: -135.970
where: short stacking energy: -54.262
Base-Backbone interact. energy: -0.620
local terms energy: -64.442384
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -11.177
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: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -156.401003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.401003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.401003 (E_RNA)
where:
Base-Base interactions energy: -98.335
where: short stacking energy: -34.979
Base-Backbone interact. energy: -0.418
local terms energy: -57.648364
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -11.483
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: 7, replica: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -85.356521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.356521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.356521 (E_RNA)
where:
Base-Base interactions energy: -30.175
where: short stacking energy: -30.175
Base-Backbone interact. energy: 1.265
local terms energy: -56.446913
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -97.070159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.070159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.070159 (E_RNA)
where:
Base-Base interactions energy: -53.343
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.114
local terms energy: -43.613159
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -84.421603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.421603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.421603 (E_RNA)
where:
Base-Base interactions energy: -36.315
where: short stacking energy: -33.948
Base-Backbone interact. energy: 0.110
local terms energy: -48.216704
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -0.418
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -74.144198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.144198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.144198 (E_RNA)
where:
Base-Base interactions energy: -28.508
where: short stacking energy: -20.746
Base-Backbone interact. energy: -0.394
local terms energy: -45.242743
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -232.636270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.636270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.636270 (E_RNA)
where:
Base-Base interactions energy: -149.658
where: short stacking energy: -77.408
Base-Backbone interact. energy: -0.000
local terms energy: -82.977794
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -15.258
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: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -223.572154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.572154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.572154 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -72.766
Base-Backbone interact. energy: -0.001
local terms energy: -80.294673
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -12.272
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: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -219.130890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.130890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.130890 (E_RNA)
where:
Base-Base interactions energy: -142.248
where: short stacking energy: -57.194
Base-Backbone interact. energy: -0.580
local terms energy: -76.302122
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -20.341
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: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -215.854299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.854299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.854299 (E_RNA)
where:
Base-Base interactions energy: -143.973
where: short stacking energy: -70.626
Base-Backbone interact. energy: -0.050
local terms energy: -71.830856
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -202.835596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.835596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.835596 (E_RNA)
where:
Base-Base interactions energy: -132.730
where: short stacking energy: -56.704
Base-Backbone interact. energy: -0.737
local terms energy: -69.369078
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -146.337392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.337392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.337392 (E_RNA)
where:
Base-Base interactions energy: -92.673
where: short stacking energy: -45.890
Base-Backbone interact. energy: -0.648
local terms energy: -53.015777
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -10.041
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: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -107.648594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.648594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.648594 (E_RNA)
where:
Base-Base interactions energy: -57.279
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.003
local terms energy: -50.366560
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -82.134578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.134578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.134578 (E_RNA)
where:
Base-Base interactions energy: -38.948
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.060
local terms energy: -43.126338
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: 0.588
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: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -84.514386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.514386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.514386 (E_RNA)
where:
Base-Base interactions energy: -41.566
where: short stacking energy: -26.378
Base-Backbone interact. energy: -0.154
local terms energy: -42.793756
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -89.234824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.234824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.234824 (E_RNA)
where:
Base-Base interactions energy: -37.562
where: short stacking energy: -21.004
Base-Backbone interact. energy: -0.163
local terms energy: -51.509618
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -231.115818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.115818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.115818 (E_RNA)
where:
Base-Base interactions energy: -148.562
where: short stacking energy: -74.954
Base-Backbone interact. energy: -0.327
local terms energy: -82.227474
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -19.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -227.409449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.409449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.409449 (E_RNA)
where:
Base-Base interactions energy: -152.363
where: short stacking energy: -75.523
Base-Backbone interact. energy: 0.711
local terms energy: -75.757345
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -221.629461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.629461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.629461 (E_RNA)
where:
Base-Base interactions energy: -145.711
where: short stacking energy: -74.637
Base-Backbone interact. energy: 0.650
local terms energy: -76.568427
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -18.575
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: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -217.834603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.834603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.834603 (E_RNA)
where:
Base-Base interactions energy: -143.740
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.426
local terms energy: -73.668295
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -22.212
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: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -208.709238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.709238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.709238 (E_RNA)
where:
Base-Base interactions energy: -139.629
where: short stacking energy: -62.988
Base-Backbone interact. energy: -0.495
local terms energy: -68.585354
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -12.777
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: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -196.737236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.737236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.737236 (E_RNA)
where:
Base-Base interactions energy: -124.918
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.224
local terms energy: -71.595910
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -90.983606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.983606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.983606 (E_RNA)
where:
Base-Base interactions energy: -49.185
where: short stacking energy: -42.385
Base-Backbone interact. energy: 1.466
local terms energy: -43.265026
where:
bonds (distance) C4'-P energy: -6.503
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -90.514702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.514702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.514702 (E_RNA)
where:
Base-Base interactions energy: -40.457
where: short stacking energy: -17.441
Base-Backbone interact. energy: -0.110
local terms energy: -49.948190
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -88.239695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.239695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.239695 (E_RNA)
where:
Base-Base interactions energy: -34.580
where: short stacking energy: -33.972
Base-Backbone interact. energy: -0.061
local terms energy: -53.598556
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -88.974343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.974343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.974343 (E_RNA)
where:
Base-Base interactions energy: -36.497
where: short stacking energy: -24.313
Base-Backbone interact. energy: 1.749
local terms energy: -54.225948
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -225.679196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.679196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.679196 (E_RNA)
where:
Base-Base interactions energy: -158.307
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.011
local terms energy: -67.361586
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -13.882
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: 465
Temperature: 0.950000
Total energy: -221.167884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.167884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.167884 (E_RNA)
where:
Base-Base interactions energy: -141.783
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.187
local terms energy: -79.198454
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -12.392
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: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -217.204607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.204607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.204607 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -69.545
Base-Backbone interact. energy: -0.205
local terms energy: -70.665729
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -216.137421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.137421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.137421 (E_RNA)
where:
Base-Base interactions energy: -137.449
where: short stacking energy: -66.461
Base-Backbone interact. energy: -0.244
local terms energy: -78.444912
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -201.215452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.215452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.215452 (E_RNA)
where:
Base-Base interactions energy: -130.583
where: short stacking energy: -49.179
Base-Backbone interact. energy: -0.586
local terms energy: -70.046240
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.709
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: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -190.116000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.116000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.116000 (E_RNA)
where:
Base-Base interactions energy: -121.137
where: short stacking energy: -54.482
Base-Backbone interact. energy: -0.098
local terms energy: -68.881114
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.605
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: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -104.968946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.968946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.968946 (E_RNA)
where:
Base-Base interactions energy: -52.262
where: short stacking energy: -29.257
Base-Backbone interact. energy: 2.923
local terms energy: -55.629399
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -79.544391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.544391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.544391 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -22.935
Base-Backbone interact. energy: -0.228
local terms energy: -47.095494
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: 2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -81.258456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.258456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.258456 (E_RNA)
where:
Base-Base interactions energy: -24.129
where: short stacking energy: -22.939
Base-Backbone interact. energy: -0.219
local terms energy: -56.910150
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -1.757
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: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -71.637802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.637802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.637802 (E_RNA)
where:
Base-Base interactions energy: -23.091
where: short stacking energy: -21.178
Base-Backbone interact. energy: -0.302
local terms energy: -48.244802
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -8.297
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: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -216.869595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.869595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.869595 (E_RNA)
where:
Base-Base interactions energy: -142.720
where: short stacking energy: -57.336
Base-Backbone interact. energy: -0.120
local terms energy: -74.029282
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -16.406
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: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -221.499106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499106 (E_RNA)
where:
Base-Base interactions energy: -143.718
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.778
local terms energy: -77.003519
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -12.670
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: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -216.129230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.129230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.129230 (E_RNA)
where:
Base-Base interactions energy: -140.484
where: short stacking energy: -63.057
Base-Backbone interact. energy: -1.433
local terms energy: -74.211879
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -10.368
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: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -224.890804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.890804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.890804 (E_RNA)
where:
Base-Base interactions energy: -149.504
where: short stacking energy: -54.208
Base-Backbone interact. energy: -0.741
local terms energy: -74.645689
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -211.636761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.636761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.636761 (E_RNA)
where:
Base-Base interactions energy: -140.120
where: short stacking energy: -60.003
Base-Backbone interact. energy: 0.768
local terms energy: -72.284256
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -183.455302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.455302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.455302 (E_RNA)
where:
Base-Base interactions energy: -116.993
where: short stacking energy: -40.524
Base-Backbone interact. energy: -0.369
local terms energy: -66.093580
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -12.314
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: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -90.777594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.777594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.777594 (E_RNA)
where:
Base-Base interactions energy: -39.345
where: short stacking energy: -28.319
Base-Backbone interact. energy: -0.084
local terms energy: -51.348821
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -91.064502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.064502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.064502 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -34.658
Base-Backbone interact. energy: 1.925
local terms energy: -58.331703
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -74.328676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.328676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.328676 (E_RNA)
where:
Base-Base interactions energy: -33.032
where: short stacking energy: -25.787
Base-Backbone interact. energy: -0.308
local terms energy: -40.988668
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: 0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -81.690343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.690343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.690343 (E_RNA)
where:
Base-Base interactions energy: -26.427
where: short stacking energy: -26.131
Base-Backbone interact. energy: -0.041
local terms energy: -55.222787
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -218.078845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.078845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.078845 (E_RNA)
where:
Base-Base interactions energy: -146.160
where: short stacking energy: -58.326
Base-Backbone interact. energy: -0.003
local terms energy: -71.915408
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -10.846
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: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -219.155420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.155420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.155420 (E_RNA)
where:
Base-Base interactions energy: -143.923
where: short stacking energy: -71.608
Base-Backbone interact. energy: -0.696
local terms energy: -74.536087
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -216.222044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.222044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222044 (E_RNA)
where:
Base-Base interactions energy: -141.284
where: short stacking energy: -69.989
Base-Backbone interact. energy: -0.341
local terms energy: -74.596467
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -214.238575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.238575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.238575 (E_RNA)
where:
Base-Base interactions energy: -140.000
where: short stacking energy: -72.470
Base-Backbone interact. energy: -0.065
local terms energy: -74.173896
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -218.520955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.520955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.520955 (E_RNA)
where:
Base-Base interactions energy: -140.737
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.988
local terms energy: -76.796106
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -20.095
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: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -161.052032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.052032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.052032 (E_RNA)
where:
Base-Base interactions energy: -93.397
where: short stacking energy: -45.985
Base-Backbone interact. energy: -0.441
local terms energy: -67.213761
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -12.914
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: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -79.625624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.625624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.625624 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -33.396
Base-Backbone interact. energy: -0.232
local terms energy: -44.568359
where:
bonds (distance) C4'-P energy: -6.763
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -83.367014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367014 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -30.631
Base-Backbone interact. energy: -0.365
local terms energy: -43.968713
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -8.821
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -88.522223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.522223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.522223 (E_RNA)
where:
Base-Base interactions energy: -32.549
where: short stacking energy: -31.076
Base-Backbone interact. energy: -0.322
local terms energy: -55.651318
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -5.684
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: 467
Temperature: 1.350000
Total energy: -77.545260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.545260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.545260 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.612
local terms energy: -45.159862
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: 4.674
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: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -215.701962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.701962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.701962 (E_RNA)
where:
Base-Base interactions energy: -138.591
where: short stacking energy: -57.218
Base-Backbone interact. energy: -0.694
local terms energy: -76.416854
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -8.582
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: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -220.065974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065974 (E_RNA)
where:
Base-Base interactions energy: -140.001
where: short stacking energy: -67.608
Base-Backbone interact. energy: -1.456
local terms energy: -78.608947
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -12.619
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: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -203.547245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.547245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.547245 (E_RNA)
where:
Base-Base interactions energy: -143.451
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.337
local terms energy: -59.759534
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -202.843702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.843702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.843702 (E_RNA)
where:
Base-Base interactions energy: -134.383
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.008
local terms energy: -68.452427
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -208.279376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.279376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.279376 (E_RNA)
where:
Base-Base interactions energy: -141.461
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.402
local terms energy: -66.416517
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -169.151268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.151268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.151268 (E_RNA)
where:
Base-Base interactions energy: -103.969
where: short stacking energy: -34.785
Base-Backbone interact. energy: -0.180
local terms energy: -65.002052
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -10.110
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: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -90.435443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.435443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.435443 (E_RNA)
where:
Base-Base interactions energy: -31.424
where: short stacking energy: -31.424
Base-Backbone interact. energy: -0.114
local terms energy: -58.898064
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -85.714190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.714190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.714190 (E_RNA)
where:
Base-Base interactions energy: -22.884
where: short stacking energy: -22.649
Base-Backbone interact. energy: -0.175
local terms energy: -62.655705
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -87.699449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.699449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.699449 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -26.422
Base-Backbone interact. energy: -0.344
local terms energy: -54.041419
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -76.388973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.388973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.388973 (E_RNA)
where:
Base-Base interactions energy: -28.365
where: short stacking energy: -20.111
Base-Backbone interact. energy: 0.967
local terms energy: -48.991472
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -229.036758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.036758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.036758 (E_RNA)
where:
Base-Base interactions energy: -155.185
where: short stacking energy: -78.444
Base-Backbone interact. energy: -0.156
local terms energy: -73.696144
where:
bonds (distance) C4'-P energy: -9.129
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -216.771099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.771099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.771099 (E_RNA)
where:
Base-Base interactions energy: -139.508
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.020
local terms energy: -77.242577
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -208.908911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.908911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.908911 (E_RNA)
where:
Base-Base interactions energy: -136.327
where: short stacking energy: -52.659
Base-Backbone interact. energy: -0.002
local terms energy: -72.580761
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -9.564
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -207.383407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.383407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.383407 (E_RNA)
where:
Base-Base interactions energy: -136.013
where: short stacking energy: -54.768
Base-Backbone interact. energy: -1.007
local terms energy: -70.362811
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -10.190
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: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -203.025606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.025606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.025606 (E_RNA)
where:
Base-Base interactions energy: -127.366
where: short stacking energy: -64.102
Base-Backbone interact. energy: 1.861
local terms energy: -77.521160
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -14.115
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: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -145.334738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.334738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.334738 (E_RNA)
where:
Base-Base interactions energy: -96.130
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.056
local terms energy: -49.148716
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -135.379512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.379512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.379512 (E_RNA)
where:
Base-Base interactions energy: -94.701
where: short stacking energy: -44.596
Base-Backbone interact. energy: -0.113
local terms energy: -40.565637
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -88.786975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.786975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.786975 (E_RNA)
where:
Base-Base interactions energy: -28.795
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.002
local terms energy: -59.989968
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -7.307
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: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -96.157177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.157177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.157177 (E_RNA)
where:
Base-Base interactions energy: -39.438
where: short stacking energy: -18.403
Base-Backbone interact. energy: -0.409
local terms energy: -56.309762
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -7.650
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: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -80.978458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.978458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.978458 (E_RNA)
where:
Base-Base interactions energy: -24.453
where: short stacking energy: -24.453
Base-Backbone interact. energy: -0.114
local terms energy: -56.411898
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -11.154
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: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -224.710510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.710510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.710510 (E_RNA)
where:
Base-Base interactions energy: -145.638
where: short stacking energy: -69.599
Base-Backbone interact. energy: -0.270
local terms energy: -78.802401
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -9.455
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: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -215.871983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871983 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -54.798
Base-Backbone interact. energy: -0.447
local terms energy: -75.648372
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -8.044
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: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -210.342095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.342095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.342095 (E_RNA)
where:
Base-Base interactions energy: -148.039
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.006
local terms energy: -62.297117
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -17.467
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: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -210.769059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.769059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.769059 (E_RNA)
where:
Base-Base interactions energy: -139.256
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.005
local terms energy: -71.507240
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -6.883
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: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -199.176092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.176092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.176092 (E_RNA)
where:
Base-Base interactions energy: -133.515
where: short stacking energy: -60.197
Base-Backbone interact. energy: -0.009
local terms energy: -65.652185
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -7.987
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: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -143.622701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.622701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.622701 (E_RNA)
where:
Base-Base interactions energy: -87.150
where: short stacking energy: -44.935
Base-Backbone interact. energy: -0.029
local terms energy: -56.443745
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -160.089016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.089016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.089016 (E_RNA)
where:
Base-Base interactions energy: -101.438
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.308
local terms energy: -58.342593
where:
bonds (distance) C4'-P energy: -4.701
bonds (distance) P-C4' energy: -9.356
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -95.055728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.055728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.055728 (E_RNA)
where:
Base-Base interactions energy: -47.973
where: short stacking energy: -45.762
Base-Backbone interact. energy: 0.276
local terms energy: -47.358545
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -4.889
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: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -90.261189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.261189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.261189 (E_RNA)
where:
Base-Base interactions energy: -45.457
where: short stacking energy: -22.479
Base-Backbone interact. energy: 0.386
local terms energy: -45.190460
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -77.846158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.846158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.846158 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -30.257
Base-Backbone interact. energy: 2.190
local terms energy: -48.234023
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -223.126069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.126069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.126069 (E_RNA)
where:
Base-Base interactions energy: -149.677
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.618
local terms energy: -72.831074
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -18.124
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: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -215.595550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.595550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.595550 (E_RNA)
where:
Base-Base interactions energy: -143.115
where: short stacking energy: -61.625
Base-Backbone interact. energy: -1.391
local terms energy: -71.089931
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -212.795170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.795170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795170 (E_RNA)
where:
Base-Base interactions energy: -151.140
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.226
local terms energy: -61.428912
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -18.035
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: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -208.748816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.748816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.748816 (E_RNA)
where:
Base-Base interactions energy: -137.591
where: short stacking energy: -49.738
Base-Backbone interact. energy: -1.266
local terms energy: -69.891723
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -203.788730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.788730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.788730 (E_RNA)
where:
Base-Base interactions energy: -138.994
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.170
local terms energy: -64.624457
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -18.570
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: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -155.298200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.298200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.298200 (E_RNA)
where:
Base-Base interactions energy: -95.681
where: short stacking energy: -48.965
Base-Backbone interact. energy: -0.062
local terms energy: -59.555425
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -7.512
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: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -133.723223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.723223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.723223 (E_RNA)
where:
Base-Base interactions energy: -72.124
where: short stacking energy: -40.687
Base-Backbone interact. energy: -0.031
local terms energy: -61.567886
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -12.457
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: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -94.165536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.165536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.165536 (E_RNA)
where:
Base-Base interactions energy: -37.960
where: short stacking energy: -37.960
Base-Backbone interact. energy: -0.190
local terms energy: -56.016175
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -87.303193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.303193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.303193 (E_RNA)
where:
Base-Base interactions energy: -47.221
where: short stacking energy: -31.746
Base-Backbone interact. energy: -0.369
local terms energy: -39.713290
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -7.776
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -4.821
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: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -82.895603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.895603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.895603 (E_RNA)
where:
Base-Base interactions energy: -40.374
where: short stacking energy: -32.854
Base-Backbone interact. energy: 0.173
local terms energy: -42.694721
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -2.518
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -226.827493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.827493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.827493 (E_RNA)
where:
Base-Base interactions energy: -152.924
where: short stacking energy: -51.810
Base-Backbone interact. energy: -0.093
local terms energy: -73.810102
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -223.168271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.168271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.168271 (E_RNA)
where:
Base-Base interactions energy: -152.410
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.325
local terms energy: -70.432614
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -199.501643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.501643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.501643 (E_RNA)
where:
Base-Base interactions energy: -123.558
where: short stacking energy: -53.864
Base-Backbone interact. energy: -2.024
local terms energy: -73.919864
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -216.807882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.807882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.807882 (E_RNA)
where:
Base-Base interactions energy: -137.271
where: short stacking energy: -70.819
Base-Backbone interact. energy: -0.006
local terms energy: -79.530911
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -20.591
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: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -167.320285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.320285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.320285 (E_RNA)
where:
Base-Base interactions energy: -99.443
where: short stacking energy: -50.440
Base-Backbone interact. energy: -0.071
local terms energy: -67.806644
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -189.353954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.353954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.353954 (E_RNA)
where:
Base-Base interactions energy: -129.849
where: short stacking energy: -48.310
Base-Backbone interact. energy: -0.126
local terms energy: -59.379152
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -87.712361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.712361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.712361 (E_RNA)
where:
Base-Base interactions energy: -39.077
where: short stacking energy: -19.323
Base-Backbone interact. energy: -0.396
local terms energy: -48.239200
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -0.712
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: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -131.255239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.255239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.255239 (E_RNA)
where:
Base-Base interactions energy: -74.966
where: short stacking energy: -42.330
Base-Backbone interact. energy: -0.157
local terms energy: -56.132684
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -73.870888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.870888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.870888 (E_RNA)
where:
Base-Base interactions energy: -26.589
where: short stacking energy: -26.589
Base-Backbone interact. energy: -0.191
local terms energy: -47.091863
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -87.721249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721249 (E_RNA)
where:
Base-Base interactions energy: -46.489
where: short stacking energy: -37.193
Base-Backbone interact. energy: -0.165
local terms energy: -41.067324
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -8.459
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -212.485519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.485519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.485519 (E_RNA)
where:
Base-Base interactions energy: -144.473
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.452
local terms energy: -67.560763
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -211.875327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.875327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.875327 (E_RNA)
where:
Base-Base interactions energy: -143.565
where: short stacking energy: -57.421
Base-Backbone interact. energy: -0.047
local terms energy: -68.263157
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -217.833211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.833211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.833211 (E_RNA)
where:
Base-Base interactions energy: -139.874
where: short stacking energy: -67.430
Base-Backbone interact. energy: -0.276
local terms energy: -77.682344
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -203.692063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.692063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.692063 (E_RNA)
where:
Base-Base interactions energy: -129.036
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.001
local terms energy: -74.655104
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -12.528
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: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -167.393351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.393351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.393351 (E_RNA)
where:
Base-Base interactions energy: -101.468
where: short stacking energy: -51.116
Base-Backbone interact. energy: -0.349
local terms energy: -65.576780
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -177.850962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.850962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.850962 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -43.611
Base-Backbone interact. energy: -0.843
local terms energy: -59.658844
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -91.273405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.273405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.273405 (E_RNA)
where:
Base-Base interactions energy: -45.556
where: short stacking energy: -45.556
Base-Backbone interact. energy: -0.138
local terms energy: -45.580076
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -125.673122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.673122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.673122 (E_RNA)
where:
Base-Base interactions energy: -70.780
where: short stacking energy: -34.074
Base-Backbone interact. energy: -0.189
local terms energy: -54.703427
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -93.966367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.966367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.966367 (E_RNA)
where:
Base-Base interactions energy: -49.276
where: short stacking energy: -22.282
Base-Backbone interact. energy: -0.804
local terms energy: -43.885443
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: 2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -79.492927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.492927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.492927 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -28.231
Base-Backbone interact. energy: -0.216
local terms energy: -47.768923
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -9.276
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -222.903531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.903531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.903531 (E_RNA)
where:
Base-Base interactions energy: -145.158
where: short stacking energy: -67.922
Base-Backbone interact. energy: -0.764
local terms energy: -76.981567
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -10.984
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: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -225.382280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.382280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.382280 (E_RNA)
where:
Base-Base interactions energy: -151.222
where: short stacking energy: -67.369
Base-Backbone interact. energy: -0.022
local terms energy: -74.138524
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -210.910092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.910092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.910092 (E_RNA)
where:
Base-Base interactions energy: -136.650
where: short stacking energy: -63.407
Base-Backbone interact. energy: -0.146
local terms energy: -74.114218
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -207.862507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.862507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.862507 (E_RNA)
where:
Base-Base interactions energy: -141.491
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.266
local terms energy: -66.104726
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -8.101
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: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -153.768178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.768178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.768178 (E_RNA)
where:
Base-Base interactions energy: -95.628
where: short stacking energy: -30.791
Base-Backbone interact. energy: 1.018
local terms energy: -59.158794
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -143.784669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.784669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.784669 (E_RNA)
where:
Base-Base interactions energy: -78.474
where: short stacking energy: -33.833
Base-Backbone interact. energy: -0.344
local terms energy: -64.966903
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -126.598396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.598396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.598396 (E_RNA)
where:
Base-Base interactions energy: -79.478
where: short stacking energy: -39.993
Base-Backbone interact. energy: -0.271
local terms energy: -46.849416
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -88.344528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.344528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.344528 (E_RNA)
where:
Base-Base interactions energy: -32.106
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.462
local terms energy: -55.776429
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -80.932050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.932050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.932050 (E_RNA)
where:
Base-Base interactions energy: -24.456
where: short stacking energy: -25.256
Base-Backbone interact. energy: -0.261
local terms energy: -56.215240
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -8.190
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: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -90.694784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.694784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.694784 (E_RNA)
where:
Base-Base interactions energy: -42.782
where: short stacking energy: -41.388
Base-Backbone interact. energy: -0.011
local terms energy: -47.901591
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -3.151
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: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -223.861514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.861514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.861514 (E_RNA)
where:
Base-Base interactions energy: -143.837
where: short stacking energy: -65.320
Base-Backbone interact. energy: -2.016
local terms energy: -78.009095
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -13.902
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: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -218.306842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.306842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.306842 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -62.528
Base-Backbone interact. energy: -1.719
local terms energy: -79.140912
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -14.109
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: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -217.644077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.644077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.644077 (E_RNA)
where:
Base-Base interactions energy: -148.389
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.044
local terms energy: -69.211240
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -19.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -218.785891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.785891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.785891 (E_RNA)
where:
Base-Base interactions energy: -140.260
where: short stacking energy: -68.111
Base-Backbone interact. energy: -0.005
local terms energy: -78.520990
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -157.073504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.073504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.073504 (E_RNA)
where:
Base-Base interactions energy: -93.682
where: short stacking energy: -34.464
Base-Backbone interact. energy: -0.813
local terms energy: -62.578929
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -6.937
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: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -146.627944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.627944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.627944 (E_RNA)
where:
Base-Base interactions energy: -88.304
where: short stacking energy: -49.120
Base-Backbone interact. energy: -0.498
local terms energy: -57.826671
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -103.436556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.436556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.436556 (E_RNA)
where:
Base-Base interactions energy: -53.220
where: short stacking energy: -30.039
Base-Backbone interact. energy: -0.857
local terms energy: -49.359519
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -103.391383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.391383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.391383 (E_RNA)
where:
Base-Base interactions energy: -46.856
where: short stacking energy: -40.676
Base-Backbone interact. energy: -0.100
local terms energy: -56.434981
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -7.818
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -89.436869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.436869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.436869 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.448
local terms energy: -54.618623
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -83.578257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578257 (E_RNA)
where:
Base-Base interactions energy: -44.857
where: short stacking energy: -28.326
Base-Backbone interact. energy: 0.739
local terms energy: -39.460411
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -1.610
tors. eta vs tors. theta energy: -0.407
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: 1, replica: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -215.782316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.782316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.782316 (E_RNA)
where:
Base-Base interactions energy: -137.760
where: short stacking energy: -59.534
Base-Backbone interact. energy: -0.052
local terms energy: -77.970610
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -11.867
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: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -218.058188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.058188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.058188 (E_RNA)
where:
Base-Base interactions energy: -148.422
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.004
local terms energy: -69.631628
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -217.337145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.337145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.337145 (E_RNA)
where:
Base-Base interactions energy: -141.038
where: short stacking energy: -73.261
Base-Backbone interact. energy: -0.623
local terms energy: -75.676261
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -214.304125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.304125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.304125 (E_RNA)
where:
Base-Base interactions energy: -135.454
where: short stacking energy: -63.347
Base-Backbone interact. energy: -0.021
local terms energy: -78.828612
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -10.059
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: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -174.646292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.646292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.646292 (E_RNA)
where:
Base-Base interactions energy: -109.537
where: short stacking energy: -47.072
Base-Backbone interact. energy: -1.223
local terms energy: -63.885958
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -7.879
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: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -139.344258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.344258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.344258 (E_RNA)
where:
Base-Base interactions energy: -77.005
where: short stacking energy: -41.013
Base-Backbone interact. energy: -1.265
local terms energy: -61.074358
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -83.377299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.377299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.377299 (E_RNA)
where:
Base-Base interactions energy: -29.160
where: short stacking energy: -19.951
Base-Backbone interact. energy: -0.521
local terms energy: -53.696155
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -0.498
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: 476
Temperature: 1.250000
Total energy: -82.648675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.648675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.648675 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.151
local terms energy: -47.435863
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -92.171959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.171959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.171959 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -33.380
Base-Backbone interact. energy: -0.804
local terms energy: -51.018942
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -5.053
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -84.930889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930889 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -29.859
Base-Backbone interact. energy: -0.333
local terms energy: -54.411765
where:
bonds (distance) C4'-P energy: -6.997
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -225.137699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.137699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.137699 (E_RNA)
where:
Base-Base interactions energy: -149.732
where: short stacking energy: -76.491
Base-Backbone interact. energy: -0.044
local terms energy: -75.361595
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -222.705409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.705409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.705409 (E_RNA)
where:
Base-Base interactions energy: -137.747
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.001
local terms energy: -84.957409
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -209.377348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.377348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.377348 (E_RNA)
where:
Base-Base interactions energy: -143.125
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.012
local terms energy: -66.240917
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -206.812420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.812420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.812420 (E_RNA)
where:
Base-Base interactions energy: -127.433
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.044
local terms energy: -79.335529
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -7.515
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: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -168.767613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.767613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.767613 (E_RNA)
where:
Base-Base interactions energy: -111.501
where: short stacking energy: -63.371
Base-Backbone interact. energy: 0.204
local terms energy: -57.471406
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -147.771948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.771948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.771948 (E_RNA)
where:
Base-Base interactions energy: -82.107
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.157
local terms energy: -65.507698
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -10.902
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: 477
Temperature: 1.200000
Total energy: -99.011907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.011907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.011907 (E_RNA)
where:
Base-Base interactions energy: -41.632
where: short stacking energy: -41.632
Base-Backbone interact. energy: -0.004
local terms energy: -57.375502
where:
bonds (distance) C4'-P energy: -7.011
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -83.484344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.484344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.484344 (E_RNA)
where:
Base-Base interactions energy: -29.381
where: short stacking energy: -29.781
Base-Backbone interact. energy: 0.661
local terms energy: -54.764244
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -93.480377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.480377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.480377 (E_RNA)
where:
Base-Base interactions energy: -44.444
where: short stacking energy: -39.468
Base-Backbone interact. energy: -1.505
local terms energy: -47.530531
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -83.647085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.647085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.647085 (E_RNA)
where:
Base-Base interactions energy: -40.717
where: short stacking energy: -28.298
Base-Backbone interact. energy: -0.915
local terms energy: -42.015384
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -2.878
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -222.661756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.661756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.661756 (E_RNA)
where:
Base-Base interactions energy: -143.360
where: short stacking energy: -69.314
Base-Backbone interact. energy: -0.112
local terms energy: -79.189297
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -233.054668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.054668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.054668 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.091
local terms energy: -78.556858
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -208.535941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.535941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.535941 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -55.257
Base-Backbone interact. energy: -1.135
local terms energy: -73.620981
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -223.106970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.106970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.106970 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.013
local terms energy: -81.748052
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -10.568
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: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -139.743810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.743810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.743810 (E_RNA)
where:
Base-Base interactions energy: -80.225
where: short stacking energy: -43.182
Base-Backbone interact. energy: -0.129
local terms energy: -59.390471
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.149
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: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -150.012536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.012536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.012536 (E_RNA)
where:
Base-Base interactions energy: -87.839
where: short stacking energy: -41.105
Base-Backbone interact. energy: -0.397
local terms energy: -61.777107
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -91.293060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.293060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.293060 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.443
local terms energy: -50.415375
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -94.155225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.155225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.155225 (E_RNA)
where:
Base-Base interactions energy: -33.729
where: short stacking energy: -28.942
Base-Backbone interact. energy: -0.365
local terms energy: -60.060623
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -92.959597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.959597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.959597 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -35.135
Base-Backbone interact. energy: 0.848
local terms energy: -58.972004
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -85.041245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.041245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.041245 (E_RNA)
where:
Base-Base interactions energy: -47.376
where: short stacking energy: -15.842
Base-Backbone interact. energy: -0.302
local terms energy: -37.363001
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -8.294
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -0.071
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: 479
Temperature: 0.900000
Total energy: -228.056935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.056935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.056935 (E_RNA)
where:
Base-Base interactions energy: -149.416
where: short stacking energy: -75.826
Base-Backbone interact. energy: -0.012
local terms energy: -78.629535
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -222.381986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.381986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.381986 (E_RNA)
where:
Base-Base interactions energy: -151.453
where: short stacking energy: -73.930
Base-Backbone interact. energy: 1.986
local terms energy: -72.914230
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -217.723281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.723281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.723281 (E_RNA)
where:
Base-Base interactions energy: -144.373
where: short stacking energy: -66.673
Base-Backbone interact. energy: -1.957
local terms energy: -71.393397
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -11.896
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: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -219.015990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.015990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.015990 (E_RNA)
where:
Base-Base interactions energy: -142.553
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.003
local terms energy: -76.460009
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -163.570099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.570099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.570099 (E_RNA)
where:
Base-Base interactions energy: -103.155
where: short stacking energy: -46.406
Base-Backbone interact. energy: -1.663
local terms energy: -58.751604
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -11.457
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: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -141.713702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.713702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.713702 (E_RNA)
where:
Base-Base interactions energy: -88.889
where: short stacking energy: -51.906
Base-Backbone interact. energy: -0.913
local terms energy: -51.912101
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -86.233643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233643 (E_RNA)
where:
Base-Base interactions energy: -42.361
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.160
local terms energy: -43.712658
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -9.240
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: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -95.811990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.811990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.811990 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -33.063
Base-Backbone interact. energy: -0.053
local terms energy: -58.367384
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -4.842
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: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -79.780984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.780984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.780984 (E_RNA)
where:
Base-Base interactions energy: -21.621
where: short stacking energy: -21.621
Base-Backbone interact. energy: -0.067
local terms energy: -58.093304
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -8.813
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: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -78.743062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.743062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.743062 (E_RNA)
where:
Base-Base interactions energy: -30.457
where: short stacking energy: -26.366
Base-Backbone interact. energy: 1.417
local terms energy: -49.702829
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -1.331
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: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -225.937016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.937016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.937016 (E_RNA)
where:
Base-Base interactions energy: -147.614
where: short stacking energy: -73.042
Base-Backbone interact. energy: -0.692
local terms energy: -77.630190
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -9.929
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: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -211.624936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.624936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.624936 (E_RNA)
where:
Base-Base interactions energy: -139.095
where: short stacking energy: -65.814
Base-Backbone interact. energy: -0.164
local terms energy: -72.365360
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -18.005
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: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -209.982140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.982140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.982140 (E_RNA)
where:
Base-Base interactions energy: -136.755
where: short stacking energy: -67.421
Base-Backbone interact. energy: 0.448
local terms energy: -73.675351
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -22.021
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: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -201.338875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.338875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.338875 (E_RNA)
where:
Base-Base interactions energy: -136.222
where: short stacking energy: -50.579
Base-Backbone interact. energy: -0.169
local terms energy: -64.947845
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -0.748
tors. eta vs tors. theta energy: -16.600
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: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -163.960286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.960286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.960286 (E_RNA)
where:
Base-Base interactions energy: -98.321
where: short stacking energy: -44.804
Base-Backbone interact. energy: -0.987
local terms energy: -64.651402
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -149.604704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.604704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.604704 (E_RNA)
where:
Base-Base interactions energy: -90.470
where: short stacking energy: -51.573
Base-Backbone interact. energy: -0.099
local terms energy: -59.035853
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -98.239717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.239717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.239717 (E_RNA)
where:
Base-Base interactions energy: -42.971
where: short stacking energy: -38.513
Base-Backbone interact. energy: -0.018
local terms energy: -55.250640
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -80.656059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.656059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.656059 (E_RNA)
where:
Base-Base interactions energy: -30.928
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.104
local terms energy: -49.624881
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -6.817
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: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -87.080046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.080046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.080046 (E_RNA)
where:
Base-Base interactions energy: -33.911
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.292
local terms energy: -52.877091
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -77.773178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.773178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.773178 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -21.244
Base-Backbone interact. energy: -0.010
local terms energy: -44.091755
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -3.413
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: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -224.858027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.858027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.858027 (E_RNA)
where:
Base-Base interactions energy: -144.921
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.519
local terms energy: -79.417434
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -9.675
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -219.206152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.206152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.206152 (E_RNA)
where:
Base-Base interactions energy: -145.000
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.139
local terms energy: -74.067374
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.623
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: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -211.208258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.208258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.208258 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -56.156
Base-Backbone interact. energy: -2.038
local terms energy: -67.302227
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -214.027311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.027311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.027311 (E_RNA)
where:
Base-Base interactions energy: -145.484
where: short stacking energy: -71.750
Base-Backbone interact. energy: -0.078
local terms energy: -68.464940
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -11.553
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: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -175.109300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.109300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.109300 (E_RNA)
where:
Base-Base interactions energy: -106.278
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.173
local terms energy: -68.658370
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -152.911716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.911716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.911716 (E_RNA)
where:
Base-Base interactions energy: -91.136
where: short stacking energy: -47.349
Base-Backbone interact. energy: -0.437
local terms energy: -61.338975
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -117.931908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.931908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.931908 (E_RNA)
where:
Base-Base interactions energy: -72.224
where: short stacking energy: -32.441
Base-Backbone interact. energy: -0.245
local terms energy: -45.463494
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -82.493088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.493088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.493088 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.090
local terms energy: -51.506830
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -98.968901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968901 (E_RNA)
where:
Base-Base interactions energy: -42.308
where: short stacking energy: -42.012
Base-Backbone interact. energy: -0.509
local terms energy: -56.151335
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -75.044789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.044789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.044789 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.053
local terms energy: -44.926013
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -228.499396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.499396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.499396 (E_RNA)
where:
Base-Base interactions energy: -147.670
where: short stacking energy: -74.586
Base-Backbone interact. energy: -0.025
local terms energy: -80.804138
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -21.729
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: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -224.393433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.393433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.393433 (E_RNA)
where:
Base-Base interactions energy: -143.024
where: short stacking energy: -65.298
Base-Backbone interact. energy: -1.416
local terms energy: -79.952927
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -207.459414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.459414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.459414 (E_RNA)
where:
Base-Base interactions energy: -140.118
where: short stacking energy: -64.491
Base-Backbone interact. energy: -0.041
local terms energy: -67.300066
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -209.369388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.369388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.369388 (E_RNA)
where:
Base-Base interactions energy: -145.848
where: short stacking energy: -63.132
Base-Backbone interact. energy: 1.942
local terms energy: -65.463046
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -177.731807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.731807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.731807 (E_RNA)
where:
Base-Base interactions energy: -117.226
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.184
local terms energy: -60.322500
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -157.407407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.407407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.407407 (E_RNA)
where:
Base-Base interactions energy: -91.148
where: short stacking energy: -40.791
Base-Backbone interact. energy: -1.090
local terms energy: -65.169872
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -147.379891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.379891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.379891 (E_RNA)
where:
Base-Base interactions energy: -89.685
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.056
local terms energy: -57.638630
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -12.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -84.176111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.176111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.176111 (E_RNA)
where:
Base-Base interactions energy: -36.674
where: short stacking energy: -36.046
Base-Backbone interact. energy: -0.135
local terms energy: -47.366295
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -84.449960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.449960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.449960 (E_RNA)
where:
Base-Base interactions energy: -31.725
where: short stacking energy: -25.452
Base-Backbone interact. energy: -0.290
local terms energy: -52.435272
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: 1.544
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: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -74.584912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.584912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.584912 (E_RNA)
where:
Base-Base interactions energy: -25.456
where: short stacking energy: -25.456
Base-Backbone interact. energy: -0.195
local terms energy: -48.933829
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -7.441
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: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -224.385123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.385123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.385123 (E_RNA)
where:
Base-Base interactions energy: -142.096
where: short stacking energy: -66.517
Base-Backbone interact. energy: -0.665
local terms energy: -81.623876
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -214.820328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.820328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.820328 (E_RNA)
where:
Base-Base interactions energy: -144.785
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.330
local terms energy: -69.705822
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -16.217
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: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -233.688746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.688746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.688746 (E_RNA)
where:
Base-Base interactions energy: -152.405
where: short stacking energy: -71.235
Base-Backbone interact. energy: -1.210
local terms energy: -80.073740
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -211.198010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.198010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.198010 (E_RNA)
where:
Base-Base interactions energy: -137.960
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.420
local terms energy: -72.817995
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -11.742
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: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -165.211465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.211465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.211465 (E_RNA)
where:
Base-Base interactions energy: -96.101
where: short stacking energy: -53.514
Base-Backbone interact. energy: -0.105
local terms energy: -69.004647
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -9.611
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: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -161.309891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.309891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.309891 (E_RNA)
where:
Base-Base interactions energy: -96.202
where: short stacking energy: -49.626
Base-Backbone interact. energy: -0.101
local terms energy: -65.006932
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -141.850541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.850541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.850541 (E_RNA)
where:
Base-Base interactions energy: -80.548
where: short stacking energy: -37.377
Base-Backbone interact. energy: -0.164
local terms energy: -61.138639
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -89.651788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.651788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.651788 (E_RNA)
where:
Base-Base interactions energy: -43.540
where: short stacking energy: -20.000
Base-Backbone interact. energy: -0.188
local terms energy: -45.923508
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: 3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -75.763092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.763092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.763092 (E_RNA)
where:
Base-Base interactions energy: -37.069
where: short stacking energy: -29.263
Base-Backbone interact. energy: 0.858
local terms energy: -39.551209
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -6.585
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: 0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -80.081232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.081232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.081232 (E_RNA)
where:
Base-Base interactions energy: -32.436
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.016
local terms energy: -47.629250
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -215.723191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.723191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.723191 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -59.406
Base-Backbone interact. energy: 0.274
local terms energy: -75.688652
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -218.794738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.794738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.794738 (E_RNA)
where:
Base-Base interactions energy: -143.093
where: short stacking energy: -66.411
Base-Backbone interact. energy: -0.098
local terms energy: -75.604128
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -21.005
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: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -217.456379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.456379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.456379 (E_RNA)
where:
Base-Base interactions energy: -149.370
where: short stacking energy: -61.947
Base-Backbone interact. energy: -0.047
local terms energy: -68.040167
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -200.354715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.354715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.354715 (E_RNA)
where:
Base-Base interactions energy: -126.422
where: short stacking energy: -64.592
Base-Backbone interact. energy: -0.026
local terms energy: -73.906848
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -18.517
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: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -172.033211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.033211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.033211 (E_RNA)
where:
Base-Base interactions energy: -107.578
where: short stacking energy: -59.459
Base-Backbone interact. energy: -0.629
local terms energy: -63.826482
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -7.284
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: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -159.156950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.156950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.156950 (E_RNA)
where:
Base-Base interactions energy: -98.587
where: short stacking energy: -51.568
Base-Backbone interact. energy: -0.032
local terms energy: -60.538148
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -12.296
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: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -158.136943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.136943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.136943 (E_RNA)
where:
Base-Base interactions energy: -87.346
where: short stacking energy: -50.221
Base-Backbone interact. energy: -0.035
local terms energy: -70.756607
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -92.425361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.425361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.425361 (E_RNA)
where:
Base-Base interactions energy: -39.993
where: short stacking energy: -37.132
Base-Backbone interact. energy: -0.013
local terms energy: -52.419717
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -7.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -81.080837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.080837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.080837 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -23.723
Base-Backbone interact. energy: -0.104
local terms energy: -53.188682
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -78.218398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.218398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.218398 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -29.711
Base-Backbone interact. energy: -0.245
local terms energy: -40.943070
where:
bonds (distance) C4'-P energy: -6.219
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -219.628409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.628409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.628409 (E_RNA)
where:
Base-Base interactions energy: -141.814
where: short stacking energy: -66.917
Base-Backbone interact. energy: -0.302
local terms energy: -77.512955
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -218.367468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.367468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.367468 (E_RNA)
where:
Base-Base interactions energy: -141.207
where: short stacking energy: -64.525
Base-Backbone interact. energy: -0.130
local terms energy: -77.030709
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -18.802
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: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -216.663686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.663686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.663686 (E_RNA)
where:
Base-Base interactions energy: -142.448
where: short stacking energy: -71.973
Base-Backbone interact. energy: -0.020
local terms energy: -74.195029
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -13.972
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: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -184.201495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.201495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.201495 (E_RNA)
where:
Base-Base interactions energy: -114.135
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.581
local terms energy: -69.484732
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -8.415
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: 5, replica: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -188.853448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.853448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.853448 (E_RNA)
where:
Base-Base interactions energy: -118.970
where: short stacking energy: -54.136
Base-Backbone interact. energy: -0.022
local terms energy: -69.861527
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -17.416
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: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -156.590713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.590713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.590713 (E_RNA)
where:
Base-Base interactions energy: -94.135
where: short stacking energy: -43.305
Base-Backbone interact. energy: 0.027
local terms energy: -62.482640
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -141.782441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.782441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.782441 (E_RNA)
where:
Base-Base interactions energy: -87.855
where: short stacking energy: -41.054
Base-Backbone interact. energy: 1.761
local terms energy: -55.688474
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -93.408882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.408882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.408882 (E_RNA)
where:
Base-Base interactions energy: -39.076
where: short stacking energy: -39.076
Base-Backbone interact. energy: -0.223
local terms energy: -54.109720
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -1.232
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -86.331710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.331710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.331710 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -31.886
Base-Backbone interact. energy: -0.441
local terms energy: -46.166043
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -74.569649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.569649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.569649 (E_RNA)
where:
Base-Base interactions energy: -27.319
where: short stacking energy: -22.164
Base-Backbone interact. energy: -0.324
local terms energy: -46.927287
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: 1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -213.453555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.453555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.453555 (E_RNA)
where:
Base-Base interactions energy: -137.764
where: short stacking energy: -58.883
Base-Backbone interact. energy: -0.007
local terms energy: -75.682266
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -219.752635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.752635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.752635 (E_RNA)
where:
Base-Base interactions energy: -148.251
where: short stacking energy: -73.632
Base-Backbone interact. energy: -0.157
local terms energy: -71.345022
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -216.549008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.549008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.549008 (E_RNA)
where:
Base-Base interactions energy: -141.560
where: short stacking energy: -67.271
Base-Backbone interact. energy: -0.247
local terms energy: -74.741514
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -18.462
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: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -171.844761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.844761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.844761 (E_RNA)
where:
Base-Base interactions energy: -107.563
where: short stacking energy: -61.905
Base-Backbone interact. energy: -0.934
local terms energy: -63.347031
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -183.594701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.594701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.594701 (E_RNA)
where:
Base-Base interactions energy: -118.843
where: short stacking energy: -61.001
Base-Backbone interact. energy: -0.010
local terms energy: -64.742064
where:
bonds (distance) C4'-P energy: -7.753
bonds (distance) P-C4' energy: -9.773
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -179.917213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.917213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.917213 (E_RNA)
where:
Base-Base interactions energy: -113.966
where: short stacking energy: -48.943
Base-Backbone interact. energy: -0.052
local terms energy: -65.899277
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -143.052876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.052876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.052876 (E_RNA)
where:
Base-Base interactions energy: -89.302
where: short stacking energy: -52.886
Base-Backbone interact. energy: -0.288
local terms energy: -53.462666
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -9.028
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -80.543525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.543525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.543525 (E_RNA)
where:
Base-Base interactions energy: -32.391
where: short stacking energy: -29.200
Base-Backbone interact. energy: -0.186
local terms energy: -47.966964
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -7.002
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: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -86.733556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.733556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.733556 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.111
local terms energy: -49.563777
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -81.446684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.446684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.446684 (E_RNA)
where:
Base-Base interactions energy: -37.609
where: short stacking energy: -26.493
Base-Backbone interact. energy: 0.612
local terms energy: -44.450593
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -8.984
flat angles C4'-P-C4' energy: -7.450
flat angles P-C4'-P energy: -9.696
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: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -218.372177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.372177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.372177 (E_RNA)
where:
Base-Base interactions energy: -143.657
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.204
local terms energy: -74.511095
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -214.563360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.563360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.563360 (E_RNA)
where:
Base-Base interactions energy: -139.757
where: short stacking energy: -67.978
Base-Backbone interact. energy: -0.956
local terms energy: -73.851009
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -219.389043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.389043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.389043 (E_RNA)
where:
Base-Base interactions energy: -140.215
where: short stacking energy: -56.864
Base-Backbone interact. energy: -0.083
local terms energy: -79.090689
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -19.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -176.842411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.842411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.842411 (E_RNA)
where:
Base-Base interactions energy: -109.259
where: short stacking energy: -56.593
Base-Backbone interact. energy: -0.006
local terms energy: -67.577010
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -176.119620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.119620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.119620 (E_RNA)
where:
Base-Base interactions energy: -110.181
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.253
local terms energy: -65.684990
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -184.635554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.635554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.635554 (E_RNA)
where:
Base-Base interactions energy: -115.127
where: short stacking energy: -54.178
Base-Backbone interact. energy: -0.338
local terms energy: -69.171042
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -144.675497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.675497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.675497 (E_RNA)
where:
Base-Base interactions energy: -85.096
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.177
local terms energy: -59.402385
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -9.235
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: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -96.822557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.822557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.822557 (E_RNA)
where:
Base-Base interactions energy: -42.210
where: short stacking energy: -24.909
Base-Backbone interact. energy: -0.077
local terms energy: -54.535725
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -86.854668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.854668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.854668 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.090
local terms energy: -57.689915
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -81.061659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.061659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.061659 (E_RNA)
where:
Base-Base interactions energy: -38.595
where: short stacking energy: -17.089
Base-Backbone interact. energy: -1.513
local terms energy: -40.953247
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -229.725536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.725536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.725536 (E_RNA)
where:
Base-Base interactions energy: -155.628
where: short stacking energy: -66.141
Base-Backbone interact. energy: -0.036
local terms energy: -74.060701
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -217.645374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.645374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.645374 (E_RNA)
where:
Base-Base interactions energy: -146.507
where: short stacking energy: -69.946
Base-Backbone interact. energy: -0.124
local terms energy: -71.013646
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -18.190
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: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -220.282786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.282786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.282786 (E_RNA)
where:
Base-Base interactions energy: -140.138
where: short stacking energy: -68.793
Base-Backbone interact. energy: -0.547
local terms energy: -79.598044
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -187.092756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.092756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.092756 (E_RNA)
where:
Base-Base interactions energy: -114.749
where: short stacking energy: -59.100
Base-Backbone interact. energy: -0.014
local terms energy: -72.330334
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -199.479060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.479060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.479060 (E_RNA)
where:
Base-Base interactions energy: -123.963
where: short stacking energy: -47.779
Base-Backbone interact. energy: -1.656
local terms energy: -73.859881
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.526
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: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -162.175583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.175583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.175583 (E_RNA)
where:
Base-Base interactions energy: -95.792
where: short stacking energy: -46.834
Base-Backbone interact. energy: -0.188
local terms energy: -66.195360
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -143.014000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.014000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.014000 (E_RNA)
where:
Base-Base interactions energy: -82.398
where: short stacking energy: -46.841
Base-Backbone interact. energy: -0.063
local terms energy: -60.553343
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -9.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -112.553631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.553631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.553631 (E_RNA)
where:
Base-Base interactions energy: -60.291
where: short stacking energy: -36.006
Base-Backbone interact. energy: -0.029
local terms energy: -52.233936
where:
bonds (distance) C4'-P energy: -7.039
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -77.101111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.101111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.101111 (E_RNA)
where:
Base-Base interactions energy: -23.406
where: short stacking energy: -24.506
Base-Backbone interact. energy: -0.051
local terms energy: -53.643821
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -75.667288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.667288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.667288 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -28.347
Base-Backbone interact. energy: -0.219
local terms energy: -47.101107
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: 0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -227.502677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.502677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.502677 (E_RNA)
where:
Base-Base interactions energy: -147.366
where: short stacking energy: -73.180
Base-Backbone interact. energy: -0.003
local terms energy: -80.133953
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -222.591256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.591256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.591256 (E_RNA)
where:
Base-Base interactions energy: -150.105
where: short stacking energy: -68.395
Base-Backbone interact. energy: -0.088
local terms energy: -72.398607
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -208.604280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.604280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.604280 (E_RNA)
where:
Base-Base interactions energy: -135.402
where: short stacking energy: -68.998
Base-Backbone interact. energy: -0.003
local terms energy: -73.199661
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -12.583
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: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -180.590982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.590982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.590982 (E_RNA)
where:
Base-Base interactions energy: -115.439
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.428
local terms energy: -64.724362
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -164.754314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.754314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.754314 (E_RNA)
where:
Base-Base interactions energy: -107.075
where: short stacking energy: -54.742
Base-Backbone interact. energy: -0.005
local terms energy: -57.673738
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -161.947211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.947211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.947211 (E_RNA)
where:
Base-Base interactions energy: -92.876
where: short stacking energy: -59.261
Base-Backbone interact. energy: -0.668
local terms energy: -68.403643
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -150.294722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.294722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.294722 (E_RNA)
where:
Base-Base interactions energy: -90.762
where: short stacking energy: -46.458
Base-Backbone interact. energy: -0.059
local terms energy: -59.473283
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -122.452991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.452991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.452991 (E_RNA)
where:
Base-Base interactions energy: -67.272
where: short stacking energy: -37.778
Base-Backbone interact. energy: -0.077
local terms energy: -55.104021
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -7.083
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: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -90.857428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.857428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.857428 (E_RNA)
where:
Base-Base interactions energy: -31.139
where: short stacking energy: -29.371
Base-Backbone interact. energy: -2.012
local terms energy: -57.705724
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -10.698
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: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -91.362179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.362179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.362179 (E_RNA)
where:
Base-Base interactions energy: -34.401
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.134
local terms energy: -56.826481
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -7.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -213.477895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.477895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.477895 (E_RNA)
where:
Base-Base interactions energy: -145.275
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.300
local terms energy: -67.903028
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -215.552423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.552423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.552423 (E_RNA)
where:
Base-Base interactions energy: -131.952
where: short stacking energy: -64.704
Base-Backbone interact. energy: -1.633
local terms energy: -81.968195
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -11.439
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: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -190.693020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.693020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.693020 (E_RNA)
where:
Base-Base interactions energy: -119.413
where: short stacking energy: -58.773
Base-Backbone interact. energy: -0.076
local terms energy: -71.203368
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -203.998965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.998965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.998965 (E_RNA)
where:
Base-Base interactions energy: -133.833
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.038
local terms energy: -70.127691
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -20.151
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: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -159.452020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.452020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.452020 (E_RNA)
where:
Base-Base interactions energy: -100.178
where: short stacking energy: -47.713
Base-Backbone interact. energy: -0.261
local terms energy: -59.013523
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -10.957
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: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -165.372046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.372046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.372046 (E_RNA)
where:
Base-Base interactions energy: -105.687
where: short stacking energy: -54.790
Base-Backbone interact. energy: -0.126
local terms energy: -59.559441
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -6.892
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: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -130.339727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.339727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.339727 (E_RNA)
where:
Base-Base interactions energy: -81.790
where: short stacking energy: -32.906
Base-Backbone interact. energy: 0.015
local terms energy: -48.564905
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -86.623902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.623902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.623902 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.577
local terms energy: -52.924930
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -84.410068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.410068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.410068 (E_RNA)
where:
Base-Base interactions energy: -34.842
where: short stacking energy: -27.655
Base-Backbone interact. energy: -0.264
local terms energy: -49.303717
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -7.877
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -76.255968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.255968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.255968 (E_RNA)
where:
Base-Base interactions energy: -27.097
where: short stacking energy: -27.097
Base-Backbone interact. energy: -0.280
local terms energy: -48.878768
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -221.168053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.168053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.168053 (E_RNA)
where:
Base-Base interactions energy: -152.111
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.048
local terms energy: -69.009270
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -211.094798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.094798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094798 (E_RNA)
where:
Base-Base interactions energy: -135.011
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.058
local terms energy: -76.025109
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -208.562456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.562456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.562456 (E_RNA)
where:
Base-Base interactions energy: -134.551
where: short stacking energy: -58.032
Base-Backbone interact. energy: 1.731
local terms energy: -75.742765
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -221.832975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.832975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.832975 (E_RNA)
where:
Base-Base interactions energy: -147.625
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.696
local terms energy: -73.512078
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -161.939912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.939912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.939912 (E_RNA)
where:
Base-Base interactions energy: -95.514
where: short stacking energy: -50.530
Base-Backbone interact. energy: -0.669
local terms energy: -65.756609
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -162.157160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.157160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.157160 (E_RNA)
where:
Base-Base interactions energy: -102.223
where: short stacking energy: -43.344
Base-Backbone interact. energy: -0.110
local terms energy: -59.823929
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -156.848707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.848707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.848707 (E_RNA)
where:
Base-Base interactions energy: -88.797
where: short stacking energy: -53.163
Base-Backbone interact. energy: -0.053
local terms energy: -67.998723
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -117.863735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.863735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.863735 (E_RNA)
where:
Base-Base interactions energy: -69.881
where: short stacking energy: -35.280
Base-Backbone interact. energy: -0.082
local terms energy: -47.900461
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -2.398
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: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -87.084454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.084454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.084454 (E_RNA)
where:
Base-Base interactions energy: -45.749
where: short stacking energy: -35.943
Base-Backbone interact. energy: -0.137
local terms energy: -41.198151
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -2.949
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -71.954522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.954522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.954522 (E_RNA)
where:
Base-Base interactions energy: -30.820
where: short stacking energy: -30.820
Base-Backbone interact. energy: -0.029
local terms energy: -41.105163
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -6.913
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -225.989863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.989863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.989863 (E_RNA)
where:
Base-Base interactions energy: -151.371
where: short stacking energy: -76.162
Base-Backbone interact. energy: -0.161
local terms energy: -74.458360
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -200.178177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.178177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.178177 (E_RNA)
where:
Base-Base interactions energy: -131.415
where: short stacking energy: -65.548
Base-Backbone interact. energy: -0.024
local terms energy: -68.738511
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -12.738
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: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -209.057277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.057277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.057277 (E_RNA)
where:
Base-Base interactions energy: -137.930
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.021
local terms energy: -71.106090
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -210.774470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.774470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.774470 (E_RNA)
where:
Base-Base interactions energy: -138.819
where: short stacking energy: -62.271
Base-Backbone interact. energy: -1.221
local terms energy: -70.733598
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.006
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: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -134.553372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.553372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.553372 (E_RNA)
where:
Base-Base interactions energy: -77.982
where: short stacking energy: -38.251
Base-Backbone interact. energy: -0.209
local terms energy: -56.362703
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -150.629050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.629050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.629050 (E_RNA)
where:
Base-Base interactions energy: -88.642
where: short stacking energy: -38.969
Base-Backbone interact. energy: -0.134
local terms energy: -61.852684
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -7.940
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: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -154.188923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.188923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.188923 (E_RNA)
where:
Base-Base interactions energy: -88.960
where: short stacking energy: -43.193
Base-Backbone interact. energy: -0.439
local terms energy: -64.789357
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -9.866
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: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -128.609375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.609375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.609375 (E_RNA)
where:
Base-Base interactions energy: -74.908
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.537
local terms energy: -53.164928
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -86.002060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.002060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.002060 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -19.620
Base-Backbone interact. energy: 0.012
local terms energy: -50.465362
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -6.531
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -0.968
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: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -83.893680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.893680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.893680 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -24.241
Base-Backbone interact. energy: -0.876
local terms energy: -48.835884
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -7.638
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: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -229.561442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.561442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.561442 (E_RNA)
where:
Base-Base interactions energy: -151.810
where: short stacking energy: -77.977
Base-Backbone interact. energy: -0.029
local terms energy: -77.722176
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -223.570381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.570381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.570381 (E_RNA)
where:
Base-Base interactions energy: -150.389
where: short stacking energy: -52.195
Base-Backbone interact. energy: -2.449
local terms energy: -70.732236
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -206.921281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.921281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.921281 (E_RNA)
where:
Base-Base interactions energy: -137.234
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.040
local terms energy: -69.647443
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -11.544
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: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -205.756377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.756377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.756377 (E_RNA)
where:
Base-Base interactions energy: -136.366
where: short stacking energy: -57.579
Base-Backbone interact. energy: -0.132
local terms energy: -69.259007
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -20.308
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: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -152.638264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.638264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.638264 (E_RNA)
where:
Base-Base interactions energy: -99.753
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.320
local terms energy: -52.565939
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -6.367
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: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -159.543451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.543451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.543451 (E_RNA)
where:
Base-Base interactions energy: -87.445
where: short stacking energy: -38.093
Base-Backbone interact. energy: -0.006
local terms energy: -72.093284
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -150.592606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.592606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.592606 (E_RNA)
where:
Base-Base interactions energy: -85.729
where: short stacking energy: -44.602
Base-Backbone interact. energy: 1.190
local terms energy: -66.053320
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -9.182
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: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -134.767703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.767703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.767703 (E_RNA)
where:
Base-Base interactions energy: -72.482
where: short stacking energy: -37.143
Base-Backbone interact. energy: -0.268
local terms energy: -62.017459
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.776
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: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -99.930369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.930369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.930369 (E_RNA)
where:
Base-Base interactions energy: -45.961
where: short stacking energy: -28.589
Base-Backbone interact. energy: -0.339
local terms energy: -53.629823
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -80.554945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.554945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.554945 (E_RNA)
where:
Base-Base interactions energy: -34.267
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.701
local terms energy: -45.586737
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -2.649
tors. eta vs tors. theta energy: -6.382
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: 494
Temperature: 0.900000
Total energy: -230.533763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.533763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.533763 (E_RNA)
where:
Base-Base interactions energy: -145.560
where: short stacking energy: -68.311
Base-Backbone interact. energy: 0.163
local terms energy: -85.136402
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -222.284067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.284067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.284067 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -66.877
Base-Backbone interact. energy: 0.611
local terms energy: -82.688058
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -208.992656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.992656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.992656 (E_RNA)
where:
Base-Base interactions energy: -146.280
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.092
local terms energy: -62.621027
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -6.299
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: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -196.605733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.605733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.605733 (E_RNA)
where:
Base-Base interactions energy: -126.791
where: short stacking energy: -61.272
Base-Backbone interact. energy: -0.383
local terms energy: -69.431927
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -157.713542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.713542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.713542 (E_RNA)
where:
Base-Base interactions energy: -94.586
where: short stacking energy: -51.424
Base-Backbone interact. energy: -0.255
local terms energy: -62.871946
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -160.516929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.516929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.516929 (E_RNA)
where:
Base-Base interactions energy: -94.780
where: short stacking energy: -49.223
Base-Backbone interact. energy: -0.040
local terms energy: -65.696826
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -10.769
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: 7, replica: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -146.322175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.322175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.322175 (E_RNA)
where:
Base-Base interactions energy: -85.919
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.028
local terms energy: -60.375481
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -92.064318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064318 (E_RNA)
where:
Base-Base interactions energy: -37.639
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.112
local terms energy: -54.313280
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -7.048
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: 494
Temperature: 1.300000
Total energy: -84.316497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.316497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.316497 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -21.226
Base-Backbone interact. energy: -1.154
local terms energy: -35.155931
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -5.986
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -1.838
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: 494
Temperature: 1.350000
Total energy: -79.571651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.571651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.571651 (E_RNA)
where:
Base-Base interactions energy: -30.925
where: short stacking energy: -22.265
Base-Backbone interact. energy: -0.268
local terms energy: -48.378126
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -219.825072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.825072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.825072 (E_RNA)
where:
Base-Base interactions energy: -146.704
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.956
local terms energy: -72.165099
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -10.234
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: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -223.483959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.483959 (E_RNA)
where:
Base-Base interactions energy: -142.898
where: short stacking energy: -64.885
Base-Backbone interact. energy: -1.937
local terms energy: -78.648849
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -211.956915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.956915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.956915 (E_RNA)
where:
Base-Base interactions energy: -135.030
where: short stacking energy: -66.970
Base-Backbone interact. energy: -0.000
local terms energy: -76.926878
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -21.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -185.002597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.002597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.002597 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -47.390
Base-Backbone interact. energy: 0.439
local terms energy: -65.356021
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -171.336918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.336918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.336918 (E_RNA)
where:
Base-Base interactions energy: -104.044
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.648
local terms energy: -66.645169
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -150.674479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.674479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.674479 (E_RNA)
where:
Base-Base interactions energy: -85.968
where: short stacking energy: -41.899
Base-Backbone interact. energy: -1.992
local terms energy: -62.714690
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -11.997
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: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -117.310821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.310821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.310821 (E_RNA)
where:
Base-Base interactions energy: -59.306
where: short stacking energy: -26.891
Base-Backbone interact. energy: -0.145
local terms energy: -57.859330
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -86.693295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.693295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.693295 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -19.852
Base-Backbone interact. energy: -0.614
local terms energy: -54.310575
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -7.352
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: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -85.508239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.508239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.508239 (E_RNA)
where:
Base-Base interactions energy: -32.601
where: short stacking energy: -25.571
Base-Backbone interact. energy: -0.286
local terms energy: -52.622081
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -7.052
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: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -81.741443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.741443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.741443 (E_RNA)
where:
Base-Base interactions energy: -33.151
where: short stacking energy: -33.151
Base-Backbone interact. energy: -0.187
local terms energy: -48.403070
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -226.436034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.436034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.436034 (E_RNA)
where:
Base-Base interactions energy: -150.696
where: short stacking energy: -75.580
Base-Backbone interact. energy: -0.399
local terms energy: -75.340993
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.143
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: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -218.264654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264654 (E_RNA)
where:
Base-Base interactions energy: -143.437
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.603
local terms energy: -74.224972
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -202.366054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.366054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.366054 (E_RNA)
where:
Base-Base interactions energy: -133.545
where: short stacking energy: -68.879
Base-Backbone interact. energy: -0.550
local terms energy: -68.271795
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -190.230822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.230822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.230822 (E_RNA)
where:
Base-Base interactions energy: -127.894
where: short stacking energy: -60.022
Base-Backbone interact. energy: -0.459
local terms energy: -61.878011
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -162.065999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.065999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.065999 (E_RNA)
where:
Base-Base interactions energy: -105.903
where: short stacking energy: -56.597
Base-Backbone interact. energy: -0.536
local terms energy: -55.626199
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -13.515
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: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -153.774982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.774982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.774982 (E_RNA)
where:
Base-Base interactions energy: -98.008
where: short stacking energy: -49.395
Base-Backbone interact. energy: -0.165
local terms energy: -55.602055
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -5.717
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: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -97.196111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.196111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.196111 (E_RNA)
where:
Base-Base interactions energy: -44.826
where: short stacking energy: -44.268
Base-Backbone interact. energy: -0.008
local terms energy: -52.361909
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -3.487
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: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -86.482067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.482067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.482067 (E_RNA)
where:
Base-Base interactions energy: -32.493
where: short stacking energy: -30.323
Base-Backbone interact. energy: -0.342
local terms energy: -53.647344
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -79.451907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.451907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.451907 (E_RNA)
where:
Base-Base interactions energy: -26.835
where: short stacking energy: -18.849
Base-Backbone interact. energy: 0.379
local terms energy: -52.996222
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -75.892112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.892112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.892112 (E_RNA)
where:
Base-Base interactions energy: -35.179
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.277
local terms energy: -40.435641
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: 2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -226.478498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.478498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.478498 (E_RNA)
where:
Base-Base interactions energy: -148.735
where: short stacking energy: -70.270
Base-Backbone interact. energy: -1.093
local terms energy: -76.650342
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -19.950
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: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -209.676376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.676376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.676376 (E_RNA)
where:
Base-Base interactions energy: -134.189
where: short stacking energy: -68.091
Base-Backbone interact. energy: -0.116
local terms energy: -75.371404
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -223.718168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.718168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.718168 (E_RNA)
where:
Base-Base interactions energy: -148.377
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.015
local terms energy: -75.326285
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -17.088
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: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -208.775486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.775486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.775486 (E_RNA)
where:
Base-Base interactions energy: -132.739
where: short stacking energy: -66.790
Base-Backbone interact. energy: -0.290
local terms energy: -75.746472
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -161.838330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.838330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.838330 (E_RNA)
where:
Base-Base interactions energy: -93.665
where: short stacking energy: -48.406
Base-Backbone interact. energy: -0.189
local terms energy: -67.984554
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -158.290916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.290916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.290916 (E_RNA)
where:
Base-Base interactions energy: -95.362
where: short stacking energy: -48.531
Base-Backbone interact. energy: 0.008
local terms energy: -62.937096
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -12.760
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: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -107.689278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.689278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.689278 (E_RNA)
where:
Base-Base interactions energy: -55.396
where: short stacking energy: -27.712
Base-Backbone interact. energy: 0.152
local terms energy: -52.445273
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -82.795603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.795603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.795603 (E_RNA)
where:
Base-Base interactions energy: -29.579
where: short stacking energy: -29.579
Base-Backbone interact. energy: -0.077
local terms energy: -53.139938
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -104.189153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.189153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.189153 (E_RNA)
where:
Base-Base interactions energy: -46.046
where: short stacking energy: -37.433
Base-Backbone interact. energy: -0.466
local terms energy: -57.677103
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -75.872425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.872425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.872425 (E_RNA)
where:
Base-Base interactions energy: -24.335
where: short stacking energy: -24.335
Base-Backbone interact. energy: 0.175
local terms energy: -51.712442
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: 0.545
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -219.393427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.393427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.393427 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -67.915
Base-Backbone interact. energy: -0.748
local terms energy: -75.474274
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -12.529
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: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -209.402460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.402460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.402460 (E_RNA)
where:
Base-Base interactions energy: -126.192
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.031
local terms energy: -83.178934
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -215.100218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.100218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.100218 (E_RNA)
where:
Base-Base interactions energy: -141.635
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.276
local terms energy: -73.189870
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -205.369314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.369314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.369314 (E_RNA)
where:
Base-Base interactions energy: -137.143
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.166
local terms energy: -68.060656
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -0.724
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: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -168.625341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.625341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.625341 (E_RNA)
where:
Base-Base interactions energy: -101.817
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.000
local terms energy: -66.808437
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -9.528
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: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -140.698375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.698375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.698375 (E_RNA)
where:
Base-Base interactions energy: -91.414
where: short stacking energy: -40.519
Base-Backbone interact. energy: -0.186
local terms energy: -49.098322
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -100.283335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.283335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.283335 (E_RNA)
where:
Base-Base interactions energy: -37.343
where: short stacking energy: -32.828
Base-Backbone interact. energy: -0.124
local terms energy: -62.816205
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -98.533290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.533290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.533290 (E_RNA)
where:
Base-Base interactions energy: -55.424
where: short stacking energy: -26.893
Base-Backbone interact. energy: -0.142
local terms energy: -42.967263
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: 0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -81.207812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.207812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.207812 (E_RNA)
where:
Base-Base interactions energy: -25.383
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.033
local terms energy: -55.792214
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -95.438535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.438535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.438535 (E_RNA)
where:
Base-Base interactions energy: -40.707
where: short stacking energy: -38.072
Base-Backbone interact. energy: 1.317
local terms energy: -56.048287
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -8.330
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: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -220.516681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.516681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.516681 (E_RNA)
where:
Base-Base interactions energy: -150.804
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.661
local terms energy: -69.051018
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -227.831851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.831851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.831851 (E_RNA)
where:
Base-Base interactions energy: -152.123
where: short stacking energy: -68.949
Base-Backbone interact. energy: -1.411
local terms energy: -74.297706
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -205.756991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.756991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.756991 (E_RNA)
where:
Base-Base interactions energy: -137.591
where: short stacking energy: -60.724
Base-Backbone interact. energy: -1.005
local terms energy: -67.161324
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -219.891790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.891790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.891790 (E_RNA)
where:
Base-Base interactions energy: -140.499
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.034
local terms energy: -79.358323
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -21.044
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: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -178.373973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.373973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.373973 (E_RNA)
where:
Base-Base interactions energy: -113.422
where: short stacking energy: -57.995
Base-Backbone interact. energy: -0.061
local terms energy: -64.890948
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -167.115801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.115801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.115801 (E_RNA)
where:
Base-Base interactions energy: -99.617
where: short stacking energy: -49.957
Base-Backbone interact. energy: -0.286
local terms energy: -67.212186
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -12.700
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: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -97.390021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.390021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.390021 (E_RNA)
where:
Base-Base interactions energy: -42.001
where: short stacking energy: -26.757
Base-Backbone interact. energy: -0.271
local terms energy: -55.118600
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -88.085395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.085395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.085395 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -35.685
Base-Backbone interact. energy: 0.415
local terms energy: -52.915108
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -76.404638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.404638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.404638 (E_RNA)
where:
Base-Base interactions energy: -30.710
where: short stacking energy: -29.502
Base-Backbone interact. energy: -0.076
local terms energy: -45.617991
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -77.407127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.407127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.407127 (E_RNA)
where:
Base-Base interactions energy: -22.336
where: short stacking energy: -13.065
Base-Backbone interact. energy: -0.056
local terms energy: -55.014682
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.602
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: 1, replica: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -224.651920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.651920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.651920 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -71.812
Base-Backbone interact. energy: -0.047
local terms energy: -77.871185
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -220.232969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.232969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.232969 (E_RNA)
where:
Base-Base interactions energy: -146.047
where: short stacking energy: -53.520
Base-Backbone interact. energy: -2.306
local terms energy: -71.879848
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -219.021834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.021834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.021834 (E_RNA)
where:
Base-Base interactions energy: -137.430
where: short stacking energy: -70.145
Base-Backbone interact. energy: -0.034
local terms energy: -81.558738
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -193.335050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.335050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.335050 (E_RNA)
where:
Base-Base interactions energy: -123.876
where: short stacking energy: -56.458
Base-Backbone interact. energy: -0.417
local terms energy: -69.042560
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -10.871
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: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -171.425978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.425978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.425978 (E_RNA)
where:
Base-Base interactions energy: -108.454
where: short stacking energy: -53.356
Base-Backbone interact. energy: -0.190
local terms energy: -62.782255
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -169.374820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.374820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.374820 (E_RNA)
where:
Base-Base interactions energy: -111.009
where: short stacking energy: -51.913
Base-Backbone interact. energy: -0.208
local terms energy: -58.156921
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -8.925
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: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -94.149459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.149459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.149459 (E_RNA)
where:
Base-Base interactions energy: -37.449
where: short stacking energy: -37.449
Base-Backbone interact. energy: 0.232
local terms energy: -56.932931
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -4.896
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: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -83.257563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.257563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.257563 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -20.865
Base-Backbone interact. energy: -1.703
local terms energy: -47.820778
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: 0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -81.878116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.878116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.878116 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -37.933
Base-Backbone interact. energy: -0.650
local terms energy: -43.294513
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -8.827
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -78.561183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.561183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.561183 (E_RNA)
where:
Base-Base interactions energy: -28.953
where: short stacking energy: -22.496
Base-Backbone interact. energy: -0.306
local terms energy: -49.302154
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -11.054
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: 1, replica: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -223.288096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.288096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.288096 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -70.410
Base-Backbone interact. energy: -0.001
local terms energy: -79.398441
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -222.887629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.887629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.887629 (E_RNA)
where:
Base-Base interactions energy: -140.123
where: short stacking energy: -72.409
Base-Backbone interact. energy: -0.005
local terms energy: -82.759830
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -204.199321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.199321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.199321 (E_RNA)
where:
Base-Base interactions energy: -141.105
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.177
local terms energy: -62.917405
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -11.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -179.647297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.647297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.647297 (E_RNA)
where:
Base-Base interactions energy: -117.723
where: short stacking energy: -52.463
Base-Backbone interact. energy: -0.109
local terms energy: -61.816032
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.849
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: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -175.650109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.650109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.650109 (E_RNA)
where:
Base-Base interactions energy: -116.822
where: short stacking energy: -51.992
Base-Backbone interact. energy: 0.185
local terms energy: -59.012649
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -164.530900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.530900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.530900 (E_RNA)
where:
Base-Base interactions energy: -106.077
where: short stacking energy: -53.358
Base-Backbone interact. energy: -0.890
local terms energy: -57.564243
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -103.306517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.306517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.306517 (E_RNA)
where:
Base-Base interactions energy: -53.067
where: short stacking energy: -27.319
Base-Backbone interact. energy: 0.280
local terms energy: -50.519593
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -6.099
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: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -102.099209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.099209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.099209 (E_RNA)
where:
Base-Base interactions energy: -48.186
where: short stacking energy: -38.548
Base-Backbone interact. energy: -0.063
local terms energy: -53.850818
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -12.106
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: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -98.539345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.539345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.539345 (E_RNA)
where:
Base-Base interactions energy: -50.099
where: short stacking energy: -32.126
Base-Backbone interact. energy: 1.222
local terms energy: -49.661806
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -79.986222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.986222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.986222 (E_RNA)
where:
Base-Base interactions energy: -32.278
where: short stacking energy: -29.788
Base-Backbone interact. energy: 0.002
local terms energy: -47.710081
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -11.741
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)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 12205834
moves confirmed later: 13716519
all moves confirmed: 25922353
percent of confirmed moves: 3.240294
current total energy: -186.733898
recalc. total energy: -186.733898
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18867928
moves confirmed later: 22437060
all moves confirmed: 41304988
percent of confirmed moves: 5.163124
current total energy: -181.094619
recalc. total energy: -181.094619
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 20076516
moves confirmed later: 24087195
all moves confirmed: 44163711
percent of confirmed moves: 5.520464
current total energy: -182.302144
recalc. total energy: -182.302144
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 13197540
moves confirmed later: 15042626
all moves confirmed: 28240166
percent of confirmed moves: 3.530021
current total energy: -161.703384
recalc. total energy: -161.703384
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 18421414
moves confirmed later: 21896282
all moves confirmed: 40317696
percent of confirmed moves: 5.039712
current total energy: -130.050513
recalc. total energy: -130.050513
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 24538765
moves confirmed later: 29953756
all moves confirmed: 54492521
percent of confirmed moves: 6.811565
current total energy: -138.783902
recalc. total energy: -138.783902
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 23815854
moves confirmed later: 28977599
all moves confirmed: 52793453
percent of confirmed moves: 6.599182
current total energy: -52.908700
recalc. total energy: -52.908700
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 13514633
moves confirmed later: 15451329
all moves confirmed: 28965962
percent of confirmed moves: 3.620745
current total energy: -42.164015
recalc. total energy: -42.164015
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 16229347
moves confirmed later: 19006536
all moves confirmed: 35235883
percent of confirmed moves: 4.404485
current total energy: -51.892751
recalc. total energy: -51.892751
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 19382305
moves confirmed later: 23162124
all moves confirmed: 42544429
percent of confirmed moves: 5.318054
current total energy: -33.084297
recalc. total energy: -33.084297
out arg RESULTS//1/KFDV-fc55b52d_01
Time of doing 8000000 iterations: 2775.198 seconds