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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV1-6ea337b3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV1-6ea337b3/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -154.502078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.502078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.502078 (E_RNA)
where:
Base-Base interactions energy: -73.729
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.155
local terms energy: -80.617635
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -140.341282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.341282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.341282 (E_RNA)
where:
Base-Base interactions energy: -66.189
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.001
local terms energy: -74.152008
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -133.731914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.731914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.731914 (E_RNA)
where:
Base-Base interactions energy: -62.378
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.211
local terms energy: -71.142962
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -138.996423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.996423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.996423 (E_RNA)
where:
Base-Base interactions energy: -58.629
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.027
local terms energy: -80.340238
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -117.437372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.437372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.437372 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -49.502
Base-Backbone interact. energy: -0.061
local terms energy: -67.875211
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -132.217180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.217180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.217180 (E_RNA)
where:
Base-Base interactions energy: -73.229
where: short stacking energy: -33.916
Base-Backbone interact. energy: -1.033
local terms energy: -57.954465
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -109.743583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.743583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.743583 (E_RNA)
where:
Base-Base interactions energy: -43.198
where: short stacking energy: -43.198
Base-Backbone interact. energy: -0.000
local terms energy: -66.545533
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -12.886
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.631251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.631251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.631251 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -27.647
Base-Backbone interact. energy: -0.189
local terms energy: -61.133756
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -2.700
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -86.135056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.135056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.135056 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -84.533751
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -5.378
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -86.324433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324433 (E_RNA)
where:
Base-Base interactions energy: -35.730
where: short stacking energy: -35.730
Base-Backbone interact. energy: -0.064
local terms energy: -50.531013
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: -6.134
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -137.477424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.477424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.477424 (E_RNA)
where:
Base-Base interactions energy: -71.523
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.672
local terms energy: -65.282479
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -176.140116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.140116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.140116 (E_RNA)
where:
Base-Base interactions energy: -103.613
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.691
local terms energy: -71.836514
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -14.482
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -126.475992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.475992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.475992 (E_RNA)
where:
Base-Base interactions energy: -58.127
where: short stacking energy: -45.191
Base-Backbone interact. energy: -0.068
local terms energy: -68.281609
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -139.134702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.134702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.134702 (E_RNA)
where:
Base-Base interactions energy: -60.478
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.011
local terms energy: -78.645388
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -113.457189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.457189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.457189 (E_RNA)
where:
Base-Base interactions energy: -45.006
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.032
local terms energy: -68.419311
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -105.123242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.123242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.123242 (E_RNA)
where:
Base-Base interactions energy: -51.721
where: short stacking energy: -38.064
Base-Backbone interact. energy: -1.033
local terms energy: -52.369328
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -7.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -108.200980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.200980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.200980 (E_RNA)
where:
Base-Base interactions energy: -43.387
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.390
local terms energy: -64.423897
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -89.859414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.859414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.859414 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.294
local terms energy: -47.682276
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -85.341862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341862 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -20.942
Base-Backbone interact. energy: 0.300
local terms energy: -54.506787
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -82.876347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876347 (E_RNA)
where:
Base-Base interactions energy: -34.450
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.169
local terms energy: -48.257244
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -6.183
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: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -195.757809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.757809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.757809 (E_RNA)
where:
Base-Base interactions energy: -123.354
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.006
local terms energy: -72.398242
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -141.848647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.848647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.848647 (E_RNA)
where:
Base-Base interactions energy: -66.970
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.022
local terms energy: -74.856234
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -18.853
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -158.989825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.989825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.989825 (E_RNA)
where:
Base-Base interactions energy: -96.115
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.346
local terms energy: -62.528811
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -139.258261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.258261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.258261 (E_RNA)
where:
Base-Base interactions energy: -62.842
where: short stacking energy: -62.842
Base-Backbone interact. energy: 0.335
local terms energy: -76.750623
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.262
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -119.325838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.325838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.325838 (E_RNA)
where:
Base-Base interactions energy: -55.114
where: short stacking energy: -42.902
Base-Backbone interact. energy: -0.008
local terms energy: -64.203327
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.351
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: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -119.571104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.571104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.571104 (E_RNA)
where:
Base-Base interactions energy: -51.838
where: short stacking energy: -49.331
Base-Backbone interact. energy: -0.018
local terms energy: -67.715136
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -7.678
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: 4
Temperature: 1.200000
Total energy: -122.434153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.434153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.434153 (E_RNA)
where:
Base-Base interactions energy: -66.486
where: short stacking energy: -32.923
Base-Backbone interact. energy: -0.038
local terms energy: -55.910702
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -8.766
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: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -92.477177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.477177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.477177 (E_RNA)
where:
Base-Base interactions energy: -32.976
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.108
local terms energy: -59.393460
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -90.090463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.090463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.090463 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -36.696
Base-Backbone interact. energy: -0.062
local terms energy: -53.285757
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -76.927462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.927462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.927462 (E_RNA)
where:
Base-Base interactions energy: -31.204
where: short stacking energy: -23.429
Base-Backbone interact. energy: -0.300
local terms energy: -45.423465
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.203
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: 5
Temperature: 0.900000
Total energy: -184.061511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.061511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.061511 (E_RNA)
where:
Base-Base interactions energy: -111.625
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.075
local terms energy: -72.361272
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -158.086655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.086655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.086655 (E_RNA)
where:
Base-Base interactions energy: -87.070
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.217
local terms energy: -70.799886
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -11.488
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: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -147.513007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.513007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.513007 (E_RNA)
where:
Base-Base interactions energy: -83.306
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.098
local terms energy: -64.108993
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -134.477388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.477388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.477388 (E_RNA)
where:
Base-Base interactions energy: -63.345
where: short stacking energy: -56.076
Base-Backbone interact. energy: -0.369
local terms energy: -70.763646
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -133.202449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.202449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.202449 (E_RNA)
where:
Base-Base interactions energy: -75.584
where: short stacking energy: -45.679
Base-Backbone interact. energy: -0.321
local terms energy: -57.297815
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -174.308284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.308284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.308284 (E_RNA)
where:
Base-Base interactions energy: -105.609
where: short stacking energy: -54.609
Base-Backbone interact. energy: -0.747
local terms energy: -67.952537
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -13.217
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: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -90.038132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.038132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.038132 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.112
local terms energy: -55.390212
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -96.571869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.571869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.571869 (E_RNA)
where:
Base-Base interactions energy: -46.275
where: short stacking energy: -29.265
Base-Backbone interact. energy: 0.163
local terms energy: -50.459601
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -104.302778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.302778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.302778 (E_RNA)
where:
Base-Base interactions energy: -41.980
where: short stacking energy: -37.045
Base-Backbone interact. energy: -0.161
local terms energy: -62.161325
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -76.515455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.515455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.515455 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.054
local terms energy: -50.252004
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -181.828917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.828917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.828917 (E_RNA)
where:
Base-Base interactions energy: -107.293
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.043
local terms energy: -74.492667
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -9.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -157.066624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.066624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.066624 (E_RNA)
where:
Base-Base interactions energy: -84.865
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.192
local terms energy: -72.009186
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -9.668
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: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -154.746767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.746767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.746767 (E_RNA)
where:
Base-Base interactions energy: -90.768
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.348
local terms energy: -63.630847
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -105.380876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.380876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.380876 (E_RNA)
where:
Base-Base interactions energy: -45.890
where: short stacking energy: -45.785
Base-Backbone interact. energy: -0.436
local terms energy: -59.055038
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -191.279651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.279651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.279651 (E_RNA)
where:
Base-Base interactions energy: -121.973
where: short stacking energy: -44.867
Base-Backbone interact. energy: -0.144
local terms energy: -69.162327
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -14.724
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: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -130.533677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.533677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.533677 (E_RNA)
where:
Base-Base interactions energy: -76.597
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.106
local terms energy: -53.831272
where:
bonds (distance) C4'-P energy: -5.616
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -99.896713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.896713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.896713 (E_RNA)
where:
Base-Base interactions energy: -42.016
where: short stacking energy: -33.947
Base-Backbone interact. energy: 0.039
local terms energy: -57.919162
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -91.760714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.760714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.760714 (E_RNA)
where:
Base-Base interactions energy: -49.241
where: short stacking energy: -32.575
Base-Backbone interact. energy: 0.055
local terms energy: -42.574908
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -9.014
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -83.670180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.670180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.670180 (E_RNA)
where:
Base-Base interactions energy: -29.392
where: short stacking energy: -28.780
Base-Backbone interact. energy: -0.206
local terms energy: -54.072369
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -77.892397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.892397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.892397 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -28.540
Base-Backbone interact. energy: -0.418
local terms energy: -40.287327
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -8.663
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -7.400
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: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -184.111664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.111664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.111664 (E_RNA)
where:
Base-Base interactions energy: -110.158
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.023
local terms energy: -73.930513
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -158.294119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.294119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.294119 (E_RNA)
where:
Base-Base interactions energy: -83.144
where: short stacking energy: -49.894
Base-Backbone interact. energy: -0.404
local terms energy: -74.746273
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -124.673072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.673072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.673072 (E_RNA)
where:
Base-Base interactions energy: -55.020
where: short stacking energy: -31.562
Base-Backbone interact. energy: -1.051
local terms energy: -68.601525
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -209.234808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.234808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.234808 (E_RNA)
where:
Base-Base interactions energy: -133.827
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.031
local terms energy: -75.376320
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -12.224
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: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -114.933215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.933215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.933215 (E_RNA)
where:
Base-Base interactions energy: -48.910
where: short stacking energy: -46.323
Base-Backbone interact. energy: -0.005
local terms energy: -66.018735
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -6.373
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: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -122.666148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.666148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.666148 (E_RNA)
where:
Base-Base interactions energy: -64.018
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.347
local terms energy: -58.301575
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -89.541864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.541864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.541864 (E_RNA)
where:
Base-Base interactions energy: -36.190
where: short stacking energy: -35.836
Base-Backbone interact. energy: 0.071
local terms energy: -53.422298
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -91.552602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.552602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.552602 (E_RNA)
where:
Base-Base interactions energy: -38.316
where: short stacking energy: -34.550
Base-Backbone interact. energy: -0.021
local terms energy: -53.215418
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -91.809209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.809209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.809209 (E_RNA)
where:
Base-Base interactions energy: -38.168
where: short stacking energy: -30.420
Base-Backbone interact. energy: -0.011
local terms energy: -53.630898
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -80.711507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.711507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.711507 (E_RNA)
where:
Base-Base interactions energy: -31.092
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.069
local terms energy: -49.550483
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.943
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: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -154.833623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.833623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.833623 (E_RNA)
where:
Base-Base interactions energy: -81.839
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.372
local terms energy: -72.623286
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -16.631
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: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -201.671587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.671587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.671587 (E_RNA)
where:
Base-Base interactions energy: -131.370
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.055
local terms energy: -70.246520
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -210.813648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.813648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.813648 (E_RNA)
where:
Base-Base interactions energy: -135.330
where: short stacking energy: -73.079
Base-Backbone interact. energy: 3.838
local terms energy: -79.321809
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -154.729041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.729041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.729041 (E_RNA)
where:
Base-Base interactions energy: -89.340
where: short stacking energy: -50.232
Base-Backbone interact. energy: -0.068
local terms energy: -65.321233
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -14.241
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: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -103.867029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.867029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.867029 (E_RNA)
where:
Base-Base interactions energy: -43.403
where: short stacking energy: -33.482
Base-Backbone interact. energy: -0.023
local terms energy: -60.441649
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -101.853537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.853537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.853537 (E_RNA)
where:
Base-Base interactions energy: -39.054
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.154
local terms energy: -62.645427
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -6.632
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: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -101.405614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.405614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.405614 (E_RNA)
where:
Base-Base interactions energy: -37.532
where: short stacking energy: -33.205
Base-Backbone interact. energy: -0.234
local terms energy: -63.639492
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -14.816
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: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -131.817837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.817837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.817837 (E_RNA)
where:
Base-Base interactions energy: -75.007
where: short stacking energy: -39.621
Base-Backbone interact. energy: -0.114
local terms energy: -56.696733
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -92.793528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.793528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.793528 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -35.646
Base-Backbone interact. energy: -0.670
local terms energy: -52.447237
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -1.865
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: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -83.164582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.164582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.164582 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -24.625
Base-Backbone interact. energy: -0.280
local terms energy: -50.343618
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -176.731551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.731551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.731551 (E_RNA)
where:
Base-Base interactions energy: -105.655
where: short stacking energy: -54.427
Base-Backbone interact. energy: -0.111
local terms energy: -70.965450
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.077
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: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -210.560141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.560141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.560141 (E_RNA)
where:
Base-Base interactions energy: -131.958
where: short stacking energy: -59.775
Base-Backbone interact. energy: -0.033
local terms energy: -78.568950
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -212.195617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.195617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.195617 (E_RNA)
where:
Base-Base interactions energy: -136.831
where: short stacking energy: -55.864
Base-Backbone interact. energy: -0.027
local terms energy: -75.337866
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -198.880061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.880061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.880061 (E_RNA)
where:
Base-Base interactions energy: -122.090
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.243
local terms energy: -76.546889
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -15.149
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: 5, replica: 8
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -122.249925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.249925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.249925 (E_RNA)
where:
Base-Base interactions energy: -62.738
where: short stacking energy: -40.583
Base-Backbone interact. energy: -0.368
local terms energy: -59.143231
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -12.179
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: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -109.500974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.500974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.500974 (E_RNA)
where:
Base-Base interactions energy: -46.837
where: short stacking energy: -44.535
Base-Backbone interact. energy: -0.007
local terms energy: -62.656298
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -11.014
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: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -119.775619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.775619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.775619 (E_RNA)
where:
Base-Base interactions energy: -64.226
where: short stacking energy: -33.746
Base-Backbone interact. energy: 0.159
local terms energy: -55.708572
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -86.028647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028647 (E_RNA)
where:
Base-Base interactions energy: -29.784
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.285
local terms energy: -55.959822
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -93.775873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.775873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.775873 (E_RNA)
where:
Base-Base interactions energy: -37.272
where: short stacking energy: -33.476
Base-Backbone interact. energy: 0.401
local terms energy: -56.904327
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -89.895510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.895510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.895510 (E_RNA)
where:
Base-Base interactions energy: -43.143
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.807
local terms energy: -45.946141
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -208.579192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.579192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.579192 (E_RNA)
where:
Base-Base interactions energy: -129.094
where: short stacking energy: -53.907
Base-Backbone interact. energy: -0.826
local terms energy: -78.659316
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -191.287659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.287659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.287659 (E_RNA)
where:
Base-Base interactions energy: -129.406
where: short stacking energy: -55.624
Base-Backbone interact. energy: -0.254
local terms energy: -61.627517
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -12.912
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: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -212.928942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.928942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.928942 (E_RNA)
where:
Base-Base interactions energy: -138.227
where: short stacking energy: -69.961
Base-Backbone interact. energy: -0.004
local terms energy: -74.697901
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -214.043969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.043969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.043969 (E_RNA)
where:
Base-Base interactions energy: -135.888
where: short stacking energy: -74.055
Base-Backbone interact. energy: -0.107
local terms energy: -78.048818
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -123.382894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.382894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.382894 (E_RNA)
where:
Base-Base interactions energy: -60.001
where: short stacking energy: -40.253
Base-Backbone interact. energy: -0.258
local terms energy: -63.123715
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -98.304898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.304898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.304898 (E_RNA)
where:
Base-Base interactions energy: -53.453
where: short stacking energy: -25.236
Base-Backbone interact. energy: -0.224
local terms energy: -44.627780
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: 3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -106.518392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.518392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.518392 (E_RNA)
where:
Base-Base interactions energy: -45.132
where: short stacking energy: -45.132
Base-Backbone interact. energy: -0.193
local terms energy: -61.193530
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.764
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: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -92.182795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.182795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.182795 (E_RNA)
where:
Base-Base interactions energy: -52.207
where: short stacking energy: -34.830
Base-Backbone interact. energy: 1.035
local terms energy: -41.010947
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -0.050
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -103.357422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.357422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.357422 (E_RNA)
where:
Base-Base interactions energy: -48.159
where: short stacking energy: -33.325
Base-Backbone interact. energy: -0.262
local terms energy: -54.936979
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -94.580041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.580041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.580041 (E_RNA)
where:
Base-Base interactions energy: -46.310
where: short stacking energy: -46.310
Base-Backbone interact. energy: -0.077
local terms energy: -48.193222
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -208.916080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.916080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.916080 (E_RNA)
where:
Base-Base interactions energy: -124.033
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.496
local terms energy: -84.387248
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -20.839
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: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -214.203627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.203627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.203627 (E_RNA)
where:
Base-Base interactions energy: -140.251
where: short stacking energy: -60.422
Base-Backbone interact. energy: -0.059
local terms energy: -73.893882
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -187.317813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.317813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.317813 (E_RNA)
where:
Base-Base interactions energy: -113.623
where: short stacking energy: -57.009
Base-Backbone interact. energy: -0.609
local terms energy: -73.086519
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -197.336295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.336295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.336295 (E_RNA)
where:
Base-Base interactions energy: -109.401
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.000
local terms energy: -87.935281
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -23.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -113.826377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.826377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.826377 (E_RNA)
where:
Base-Base interactions energy: -50.581
where: short stacking energy: -43.230
Base-Backbone interact. energy: -0.146
local terms energy: -63.098831
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -11.095
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: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -110.518952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.518952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.518952 (E_RNA)
where:
Base-Base interactions energy: -54.866
where: short stacking energy: -21.694
Base-Backbone interact. energy: -0.205
local terms energy: -55.447299
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -115.720173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.720173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.720173 (E_RNA)
where:
Base-Base interactions energy: -63.907
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.428
local terms energy: -51.385427
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -105.834442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.834442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.834442 (E_RNA)
where:
Base-Base interactions energy: -38.563
where: short stacking energy: -37.434
Base-Backbone interact. energy: -0.099
local terms energy: -67.171979
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -83.776505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.776505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.776505 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -21.340
Base-Backbone interact. energy: 0.339
local terms energy: -51.554230
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -9.663
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: 11
Temperature: 1.350000
Total energy: -80.879808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.879808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.879808 (E_RNA)
where:
Base-Base interactions energy: -37.365
where: short stacking energy: -27.244
Base-Backbone interact. energy: 0.927
local terms energy: -44.441727
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -3.303
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: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -210.958893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.958893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.958893 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -67.878
Base-Backbone interact. energy: -0.104
local terms energy: -76.692041
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -218.583876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.583876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.583876 (E_RNA)
where:
Base-Base interactions energy: -141.908
where: short stacking energy: -58.881
Base-Backbone interact. energy: -2.434
local terms energy: -74.242623
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -196.837881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.837881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.837881 (E_RNA)
where:
Base-Base interactions energy: -128.924
where: short stacking energy: -70.798
Base-Backbone interact. energy: -0.002
local terms energy: -67.912632
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -7.437
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -152.422028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.422028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.422028 (E_RNA)
where:
Base-Base interactions energy: -79.230
where: short stacking energy: -54.324
Base-Backbone interact. energy: 0.207
local terms energy: -73.398685
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -130.612253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.612253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.612253 (E_RNA)
where:
Base-Base interactions energy: -70.256
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.250
local terms energy: -60.106541
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -108.603663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.603663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.603663 (E_RNA)
where:
Base-Base interactions energy: -49.780
where: short stacking energy: -48.905
Base-Backbone interact. energy: -0.857
local terms energy: -57.967138
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -98.543005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.543005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.543005 (E_RNA)
where:
Base-Base interactions energy: -43.110
where: short stacking energy: -32.728
Base-Backbone interact. energy: -0.386
local terms energy: -55.047432
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -94.186838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.186838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.186838 (E_RNA)
where:
Base-Base interactions energy: -39.537
where: short stacking energy: -39.537
Base-Backbone interact. energy: -0.041
local terms energy: -54.608201
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -9.306
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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -90.675247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.675247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.675247 (E_RNA)
where:
Base-Base interactions energy: -40.374
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.113
local terms energy: -50.187358
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -11.192
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: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -82.604043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.604043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.604043 (E_RNA)
where:
Base-Base interactions energy: -35.570
where: short stacking energy: -14.665
Base-Backbone interact. energy: -0.445
local terms energy: -46.589103
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: 2.074
tors. eta vs tors. theta energy: -5.850
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: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -211.478141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.478141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.478141 (E_RNA)
where:
Base-Base interactions energy: -129.076
where: short stacking energy: -71.171
Base-Backbone interact. energy: -0.006
local terms energy: -82.396675
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -11.963
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: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -239.881459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.881459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.881459 (E_RNA)
where:
Base-Base interactions energy: -163.672
where: short stacking energy: -67.432
Base-Backbone interact. energy: 0.931
local terms energy: -77.141095
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -212.615443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.615443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.615443 (E_RNA)
where:
Base-Base interactions energy: -134.068
where: short stacking energy: -54.010
Base-Backbone interact. energy: -0.263
local terms energy: -78.284902
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -139.233940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.233940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.233940 (E_RNA)
where:
Base-Base interactions energy: -73.733
where: short stacking energy: -49.677
Base-Backbone interact. energy: -0.034
local terms energy: -65.466707
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -12.440
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: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -118.767964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.767964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.767964 (E_RNA)
where:
Base-Base interactions energy: -57.284
where: short stacking energy: -37.297
Base-Backbone interact. energy: -0.620
local terms energy: -60.863740
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -145.949873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.949873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.949873 (E_RNA)
where:
Base-Base interactions energy: -85.640
where: short stacking energy: -45.659
Base-Backbone interact. energy: -0.100
local terms energy: -60.209542
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -99.833719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.833719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.833719 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -31.756
Base-Backbone interact. energy: -0.035
local terms energy: -58.156246
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -8.530
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: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -104.745366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.745366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.745366 (E_RNA)
where:
Base-Base interactions energy: -55.696
where: short stacking energy: -32.809
Base-Backbone interact. energy: 0.250
local terms energy: -49.299260
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -85.748856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.748856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.748856 (E_RNA)
where:
Base-Base interactions energy: -28.202
where: short stacking energy: -22.411
Base-Backbone interact. energy: -0.047
local terms energy: -57.499868
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -3.944
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: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -85.478795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.478795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.478795 (E_RNA)
where:
Base-Base interactions energy: -38.005
where: short stacking energy: -28.969
Base-Backbone interact. energy: -0.734
local terms energy: -46.739204
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: 0.817
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: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -220.540931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.540931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.540931 (E_RNA)
where:
Base-Base interactions energy: -135.504
where: short stacking energy: -69.367
Base-Backbone interact. energy: -0.111
local terms energy: -84.925600
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -19.774
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: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -212.713637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.713637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.713637 (E_RNA)
where:
Base-Base interactions energy: -138.703
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.284
local terms energy: -73.726395
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -16.262
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: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -200.740261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.740261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.740261 (E_RNA)
where:
Base-Base interactions energy: -133.499
where: short stacking energy: -68.275
Base-Backbone interact. energy: -0.136
local terms energy: -67.104989
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -193.461021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.461021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.461021 (E_RNA)
where:
Base-Base interactions energy: -112.554
where: short stacking energy: -69.896
Base-Backbone interact. energy: 0.201
local terms energy: -81.107383
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -172.873620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.873620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.873620 (E_RNA)
where:
Base-Base interactions energy: -103.712
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.040
local terms energy: -69.121535
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -115.173724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.173724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.173724 (E_RNA)
where:
Base-Base interactions energy: -55.289
where: short stacking energy: -35.225
Base-Backbone interact. energy: -0.132
local terms energy: -59.752903
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -101.379760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.379760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.379760 (E_RNA)
where:
Base-Base interactions energy: -40.133
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.450
local terms energy: -60.797469
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -92.175066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.175066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.175066 (E_RNA)
where:
Base-Base interactions energy: -31.649
where: short stacking energy: -30.509
Base-Backbone interact. energy: -0.306
local terms energy: -60.220036
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -8.468
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: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -86.129373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.129373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.129373 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -26.295
Base-Backbone interact. energy: -0.081
local terms energy: -55.938597
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -0.309
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: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -76.126256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.126256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.126256 (E_RNA)
where:
Base-Base interactions energy: -27.914
where: short stacking energy: -23.817
Base-Backbone interact. energy: -0.188
local terms energy: -48.023538
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -12.760
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: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -227.347048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.347048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.347048 (E_RNA)
where:
Base-Base interactions energy: -156.971
where: short stacking energy: -79.052
Base-Backbone interact. energy: -0.035
local terms energy: -70.340470
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -213.675184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.675184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.675184 (E_RNA)
where:
Base-Base interactions energy: -129.481
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.356
local terms energy: -83.838574
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -200.456112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.456112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.456112 (E_RNA)
where:
Base-Base interactions energy: -120.311
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.002
local terms energy: -80.142719
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -174.815186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.815186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.815186 (E_RNA)
where:
Base-Base interactions energy: -108.083
where: short stacking energy: -59.450
Base-Backbone interact. energy: -0.157
local terms energy: -66.575828
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -176.425181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.425181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.425181 (E_RNA)
where:
Base-Base interactions energy: -102.664
where: short stacking energy: -57.939
Base-Backbone interact. energy: -0.121
local terms energy: -73.639917
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -7.503
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: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -137.126492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.126492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.126492 (E_RNA)
where:
Base-Base interactions energy: -84.297
where: short stacking energy: -39.352
Base-Backbone interact. energy: -0.538
local terms energy: -52.292025
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -102.161373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.161373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.161373 (E_RNA)
where:
Base-Base interactions energy: -48.402
where: short stacking energy: -47.699
Base-Backbone interact. energy: 1.764
local terms energy: -55.523190
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -103.069612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.069612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.069612 (E_RNA)
where:
Base-Base interactions energy: -44.681
where: short stacking energy: -37.796
Base-Backbone interact. energy: -0.056
local terms energy: -58.332715
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -86.197353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.197353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.197353 (E_RNA)
where:
Base-Base interactions energy: -33.240
where: short stacking energy: -29.917
Base-Backbone interact. energy: -1.180
local terms energy: -51.777923
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -77.097883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.097883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.097883 (E_RNA)
where:
Base-Base interactions energy: -29.850
where: short stacking energy: -27.070
Base-Backbone interact. energy: 0.345
local terms energy: -47.593309
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -2.062
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: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -229.612636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.612636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.612636 (E_RNA)
where:
Base-Base interactions energy: -149.763
where: short stacking energy: -84.551
Base-Backbone interact. energy: -0.008
local terms energy: -79.841967
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -223.879908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.879908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.879908 (E_RNA)
where:
Base-Base interactions energy: -142.160
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.024
local terms energy: -81.695599
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -19.370
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: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -186.273601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.273601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.273601 (E_RNA)
where:
Base-Base interactions energy: -117.085
where: short stacking energy: -64.214
Base-Backbone interact. energy: -0.076
local terms energy: -69.112854
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -203.929047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.929047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.929047 (E_RNA)
where:
Base-Base interactions energy: -132.366
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.004
local terms energy: -71.559804
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -181.165461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.165461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.165461 (E_RNA)
where:
Base-Base interactions energy: -105.597
where: short stacking energy: -59.738
Base-Backbone interact. energy: -0.052
local terms energy: -75.516533
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -147.364433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.364433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.364433 (E_RNA)
where:
Base-Base interactions energy: -83.229
where: short stacking energy: -45.495
Base-Backbone interact. energy: -0.024
local terms energy: -64.110964
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -117.728444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.728444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.728444 (E_RNA)
where:
Base-Base interactions energy: -57.182
where: short stacking energy: -45.940
Base-Backbone interact. energy: -0.516
local terms energy: -60.030312
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -84.810136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810136 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -36.667
Base-Backbone interact. energy: 1.633
local terms energy: -49.775908
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -88.838852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.838852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.838852 (E_RNA)
where:
Base-Base interactions energy: -31.264
where: short stacking energy: -28.584
Base-Backbone interact. energy: -0.243
local terms energy: -57.331325
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -82.096372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.096372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.096372 (E_RNA)
where:
Base-Base interactions energy: -29.552
where: short stacking energy: -20.509
Base-Backbone interact. energy: -0.110
local terms energy: -52.434872
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -237.778604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.778604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.778604 (E_RNA)
where:
Base-Base interactions energy: -157.932
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.013
local terms energy: -79.833887
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -193.870363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.870363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.870363 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -58.088
Base-Backbone interact. energy: -0.094
local terms energy: -66.808881
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -10.162
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: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -217.888260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.888260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.888260 (E_RNA)
where:
Base-Base interactions energy: -151.153
where: short stacking energy: -68.130
Base-Backbone interact. energy: 0.638
local terms energy: -67.373013
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -14.051
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: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -183.519993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.519993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.519993 (E_RNA)
where:
Base-Base interactions energy: -103.168
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.120
local terms energy: -80.232833
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -190.018461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.018461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.018461 (E_RNA)
where:
Base-Base interactions energy: -111.838
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.002
local terms energy: -78.178512
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -154.963190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.963190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.963190 (E_RNA)
where:
Base-Base interactions energy: -89.712
where: short stacking energy: -53.443
Base-Backbone interact. energy: 0.013
local terms energy: -65.264749
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -107.560789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.560789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.560789 (E_RNA)
where:
Base-Base interactions energy: -47.757
where: short stacking energy: -43.904
Base-Backbone interact. energy: -0.492
local terms energy: -59.311576
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -9.921
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: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -92.182375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.182375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.182375 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -35.722
Base-Backbone interact. energy: -0.362
local terms energy: -52.517075
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -85.504977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.504977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.504977 (E_RNA)
where:
Base-Base interactions energy: -28.889
where: short stacking energy: -28.889
Base-Backbone interact. energy: -0.153
local terms energy: -56.462310
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -79.704007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.704007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.704007 (E_RNA)
where:
Base-Base interactions energy: -19.598
where: short stacking energy: -19.598
Base-Backbone interact. energy: -0.212
local terms energy: -59.894228
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -10.917
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: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -233.399359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.399359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.399359 (E_RNA)
where:
Base-Base interactions energy: -161.657
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.801
local terms energy: -70.941761
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -187.606859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.606859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.606859 (E_RNA)
where:
Base-Base interactions energy: -108.727
where: short stacking energy: -59.825
Base-Backbone interact. energy: 0.320
local terms energy: -79.199764
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -211.274554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.274554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.274554 (E_RNA)
where:
Base-Base interactions energy: -144.701
where: short stacking energy: -64.993
Base-Backbone interact. energy: -0.008
local terms energy: -66.564864
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -178.601816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.601816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.601816 (E_RNA)
where:
Base-Base interactions energy: -106.153
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.100
local terms energy: -72.349714
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -16.579
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: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -171.047426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.047426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.047426 (E_RNA)
where:
Base-Base interactions energy: -100.781
where: short stacking energy: -55.322
Base-Backbone interact. energy: -1.107
local terms energy: -69.159985
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -10.503
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: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -198.847697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.847697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.847697 (E_RNA)
where:
Base-Base interactions energy: -133.944
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.027
local terms energy: -64.876589
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -111.677525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.677525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.677525 (E_RNA)
where:
Base-Base interactions energy: -45.646
where: short stacking energy: -34.432
Base-Backbone interact. energy: -0.490
local terms energy: -65.541458
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -12.492
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: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -98.557228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.557228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.557228 (E_RNA)
where:
Base-Base interactions energy: -40.693
where: short stacking energy: -32.395
Base-Backbone interact. energy: 1.752
local terms energy: -59.616567
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -3.567
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: 18
Temperature: 1.300000
Total energy: -80.684749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.684749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.684749 (E_RNA)
where:
Base-Base interactions energy: -30.815
where: short stacking energy: -29.226
Base-Backbone interact. energy: -0.178
local terms energy: -49.691424
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -89.582704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582704 (E_RNA)
where:
Base-Base interactions energy: -37.142
where: short stacking energy: -36.616
Base-Backbone interact. energy: -0.189
local terms energy: -52.251056
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -235.461428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.461428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.461428 (E_RNA)
where:
Base-Base interactions energy: -159.894
where: short stacking energy: -67.016
Base-Backbone interact. energy: -0.179
local terms energy: -75.389030
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -225.611495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.611495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.611495 (E_RNA)
where:
Base-Base interactions energy: -139.387
where: short stacking energy: -69.805
Base-Backbone interact. energy: -0.402
local terms energy: -85.823027
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -171.721017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.721017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.721017 (E_RNA)
where:
Base-Base interactions energy: -96.833
where: short stacking energy: -51.037
Base-Backbone interact. energy: -0.090
local terms energy: -74.797626
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -195.086787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.086787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.086787 (E_RNA)
where:
Base-Base interactions energy: -122.019
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.149
local terms energy: -72.919169
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -21.555
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: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -174.232636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.232636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.232636 (E_RNA)
where:
Base-Base interactions energy: -99.511
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.205
local terms energy: -74.517133
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -189.594840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.594840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.594840 (E_RNA)
where:
Base-Base interactions energy: -121.500
where: short stacking energy: -53.843
Base-Backbone interact. energy: -0.144
local terms energy: -67.951215
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -7.282
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: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -101.859925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.859925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.859925 (E_RNA)
where:
Base-Base interactions energy: -40.789
where: short stacking energy: -37.174
Base-Backbone interact. energy: -0.013
local terms energy: -61.057851
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -5.886
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: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -90.510804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.510804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.510804 (E_RNA)
where:
Base-Base interactions energy: -30.851
where: short stacking energy: -28.346
Base-Backbone interact. energy: -0.120
local terms energy: -59.540441
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -10.376
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: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -83.713590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.713590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.713590 (E_RNA)
where:
Base-Base interactions energy: -32.124
where: short stacking energy: -32.124
Base-Backbone interact. energy: -0.138
local terms energy: -51.451152
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -88.931975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.931975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.931975 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -34.107
Base-Backbone interact. energy: 1.048
local terms energy: -51.377171
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -224.344623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.344623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.344623 (E_RNA)
where:
Base-Base interactions energy: -149.558
where: short stacking energy: -69.056
Base-Backbone interact. energy: -0.017
local terms energy: -74.769771
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -217.686681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.686681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.686681 (E_RNA)
where:
Base-Base interactions energy: -145.492
where: short stacking energy: -71.637
Base-Backbone interact. energy: -0.063
local terms energy: -72.131618
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -17.500
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: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -189.157135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.157135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.157135 (E_RNA)
where:
Base-Base interactions energy: -113.938
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.030
local terms energy: -75.188642
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -17.337
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: 20
Temperature: 1.050000
Total energy: -184.381833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.381833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.381833 (E_RNA)
where:
Base-Base interactions energy: -108.407
where: short stacking energy: -59.629
Base-Backbone interact. energy: -0.062
local terms energy: -75.913052
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -21.007
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: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -183.975594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.975594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.975594 (E_RNA)
where:
Base-Base interactions energy: -112.373
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.137
local terms energy: -71.465705
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -146.385227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.385227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.385227 (E_RNA)
where:
Base-Base interactions energy: -83.379
where: short stacking energy: -49.393
Base-Backbone interact. energy: -0.300
local terms energy: -62.705837
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -110.172343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.172343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.172343 (E_RNA)
where:
Base-Base interactions energy: -58.743
where: short stacking energy: -50.544
Base-Backbone interact. energy: -0.234
local terms energy: -51.195027
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -102.572430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.572430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.572430 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -34.144
Base-Backbone interact. energy: -0.230
local terms energy: -62.630318
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -10.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -81.213691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.213691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.213691 (E_RNA)
where:
Base-Base interactions energy: -35.277
where: short stacking energy: -27.577
Base-Backbone interact. energy: -0.526
local terms energy: -45.409828
where:
bonds (distance) C4'-P energy: -8.236
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -6.375
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: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -93.773951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.773951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.773951 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.087
local terms energy: -62.731166
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -212.242893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.242893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.242893 (E_RNA)
where:
Base-Base interactions energy: -131.135
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.097
local terms energy: -81.011384
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -20.914
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: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -232.694101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.694101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.694101 (E_RNA)
where:
Base-Base interactions energy: -150.958
where: short stacking energy: -70.808
Base-Backbone interact. energy: -0.076
local terms energy: -81.659409
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -190.571891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.571891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.571891 (E_RNA)
where:
Base-Base interactions energy: -116.885
where: short stacking energy: -65.040
Base-Backbone interact. energy: 0.733
local terms energy: -74.419945
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -13.486
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: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -178.442589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.442589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.442589 (E_RNA)
where:
Base-Base interactions energy: -108.214
where: short stacking energy: -64.017
Base-Backbone interact. energy: -0.257
local terms energy: -69.971301
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -167.340162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.340162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.340162 (E_RNA)
where:
Base-Base interactions energy: -98.656
where: short stacking energy: -53.219
Base-Backbone interact. energy: -0.100
local terms energy: -68.584318
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -147.607258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.607258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.607258 (E_RNA)
where:
Base-Base interactions energy: -86.934
where: short stacking energy: -51.173
Base-Backbone interact. energy: -0.097
local terms energy: -60.575598
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -107.532425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.532425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.532425 (E_RNA)
where:
Base-Base interactions energy: -45.704
where: short stacking energy: -42.454
Base-Backbone interact. energy: -0.625
local terms energy: -61.203027
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -100.915715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.915715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.915715 (E_RNA)
where:
Base-Base interactions energy: -43.047
where: short stacking energy: -34.209
Base-Backbone interact. energy: -1.182
local terms energy: -56.686989
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -83.604333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.604333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.604333 (E_RNA)
where:
Base-Base interactions energy: -27.199
where: short stacking energy: -25.635
Base-Backbone interact. energy: 0.015
local terms energy: -56.420185
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -1.766
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: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -84.997275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.997275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.997275 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -31.164
Base-Backbone interact. energy: -0.210
local terms energy: -50.225837
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -1.345
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: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -229.482044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.482044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.482044 (E_RNA)
where:
Base-Base interactions energy: -148.409
where: short stacking energy: -70.371
Base-Backbone interact. energy: 0.937
local terms energy: -82.009326
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -220.614357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.614357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.614357 (E_RNA)
where:
Base-Base interactions energy: -144.780
where: short stacking energy: -72.271
Base-Backbone interact. energy: -0.004
local terms energy: -75.830031
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -199.593959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.593959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.593959 (E_RNA)
where:
Base-Base interactions energy: -117.104
where: short stacking energy: -62.019
Base-Backbone interact. energy: -0.565
local terms energy: -81.925706
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -203.906806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.906806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.906806 (E_RNA)
where:
Base-Base interactions energy: -127.518
where: short stacking energy: -53.178
Base-Backbone interact. energy: -0.053
local terms energy: -76.335446
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -10.094
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: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -160.832009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.832009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.832009 (E_RNA)
where:
Base-Base interactions energy: -93.954
where: short stacking energy: -49.407
Base-Backbone interact. energy: -0.027
local terms energy: -66.851035
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -144.605550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.605550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.605550 (E_RNA)
where:
Base-Base interactions energy: -86.921
where: short stacking energy: -49.127
Base-Backbone interact. energy: 0.614
local terms energy: -58.298335
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -11.412
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: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -102.060958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.060958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.060958 (E_RNA)
where:
Base-Base interactions energy: -33.709
where: short stacking energy: -29.056
Base-Backbone interact. energy: 0.111
local terms energy: -68.463112
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -10.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -109.580790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.580790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.580790 (E_RNA)
where:
Base-Base interactions energy: -68.228
where: short stacking energy: -26.006
Base-Backbone interact. energy: -0.205
local terms energy: -41.147731
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: 3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -87.166734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.166734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.166734 (E_RNA)
where:
Base-Base interactions energy: -29.873
where: short stacking energy: -29.873
Base-Backbone interact. energy: -0.204
local terms energy: -57.089283
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -87.594055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.594055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.594055 (E_RNA)
where:
Base-Base interactions energy: -30.287
where: short stacking energy: -30.287
Base-Backbone interact. energy: -0.180
local terms energy: -57.127756
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -224.290309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.290309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.290309 (E_RNA)
where:
Base-Base interactions energy: -151.641
where: short stacking energy: -67.915
Base-Backbone interact. energy: -0.015
local terms energy: -72.633470
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -11.292
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: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -215.076601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.076601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.076601 (E_RNA)
where:
Base-Base interactions energy: -132.603
where: short stacking energy: -54.944
Base-Backbone interact. energy: -0.021
local terms energy: -82.452312
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -11.840
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: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -201.087981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.087981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.087981 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -62.551
Base-Backbone interact. energy: -1.704
local terms energy: -77.183999
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -19.598
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: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -193.445859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.445859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.445859 (E_RNA)
where:
Base-Base interactions energy: -117.725
where: short stacking energy: -52.947
Base-Backbone interact. energy: -0.323
local terms energy: -75.397152
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -155.080080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.080080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.080080 (E_RNA)
where:
Base-Base interactions energy: -81.012
where: short stacking energy: -51.238
Base-Backbone interact. energy: -0.749
local terms energy: -73.319110
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -12.373
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: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -101.214211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.214211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.214211 (E_RNA)
where:
Base-Base interactions energy: -41.470
where: short stacking energy: -29.869
Base-Backbone interact. energy: -0.062
local terms energy: -59.682470
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -7.531
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: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -145.047520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.047520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.047520 (E_RNA)
where:
Base-Base interactions energy: -96.503
where: short stacking energy: -36.287
Base-Backbone interact. energy: -2.038
local terms energy: -46.506871
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -10.764
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: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -101.685913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.685913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.685913 (E_RNA)
where:
Base-Base interactions energy: -52.163
where: short stacking energy: -34.148
Base-Backbone interact. energy: -0.197
local terms energy: -49.325896
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: 0.571
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: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -93.140100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.140100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.140100 (E_RNA)
where:
Base-Base interactions energy: -37.018
where: short stacking energy: -29.476
Base-Backbone interact. energy: -1.245
local terms energy: -54.876737
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -80.048057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.048057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.048057 (E_RNA)
where:
Base-Base interactions energy: -23.299
where: short stacking energy: -23.158
Base-Backbone interact. energy: -0.098
local terms energy: -56.650574
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -1.478
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: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -224.501731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.501731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.501731 (E_RNA)
where:
Base-Base interactions energy: -144.035
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.068
local terms energy: -80.398378
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -12.935
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: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -208.385911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.385911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.385911 (E_RNA)
where:
Base-Base interactions energy: -141.645
where: short stacking energy: -56.802
Base-Backbone interact. energy: -1.063
local terms energy: -65.677619
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -213.886816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.886816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.886816 (E_RNA)
where:
Base-Base interactions energy: -146.066
where: short stacking energy: -62.356
Base-Backbone interact. energy: -0.023
local terms energy: -67.797943
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -11.959
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: 24
Temperature: 1.050000
Total energy: -177.182471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.182471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.182471 (E_RNA)
where:
Base-Base interactions energy: -95.932
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.097
local terms energy: -81.153018
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -13.399
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: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -172.142899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.142899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.142899 (E_RNA)
where:
Base-Base interactions energy: -100.829
where: short stacking energy: -54.456
Base-Backbone interact. energy: -0.127
local terms energy: -71.186275
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -164.341071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.341071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.341071 (E_RNA)
where:
Base-Base interactions energy: -98.967
where: short stacking energy: -53.506
Base-Backbone interact. energy: 1.033
local terms energy: -66.406541
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -12.588
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: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -109.053041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.053041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.053041 (E_RNA)
where:
Base-Base interactions energy: -52.254
where: short stacking energy: -25.770
Base-Backbone interact. energy: -1.514
local terms energy: -55.284474
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.932
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: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -136.915039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.915039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.915039 (E_RNA)
where:
Base-Base interactions energy: -87.423
where: short stacking energy: -49.019
Base-Backbone interact. energy: 0.578
local terms energy: -50.069982
where:
bonds (distance) C4'-P energy: -5.636
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -4.434
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: 9, replica: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -90.940102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.940102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.940102 (E_RNA)
where:
Base-Base interactions energy: -28.110
where: short stacking energy: -28.110
Base-Backbone interact. energy: 0.761
local terms energy: -63.591373
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -11.204
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: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -84.331126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.331126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.331126 (E_RNA)
where:
Base-Base interactions energy: -36.060
where: short stacking energy: -34.057
Base-Backbone interact. energy: -0.121
local terms energy: -48.149308
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -8.487
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -7.453
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: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -221.363861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.363861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.363861 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -63.355
Base-Backbone interact. energy: -0.114
local terms energy: -81.748851
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -218.121360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.121360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.121360 (E_RNA)
where:
Base-Base interactions energy: -140.322
where: short stacking energy: -69.113
Base-Backbone interact. energy: -0.052
local terms energy: -77.748224
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -12.406
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: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -200.694673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.694673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.694673 (E_RNA)
where:
Base-Base interactions energy: -131.297
where: short stacking energy: -59.367
Base-Backbone interact. energy: -0.152
local terms energy: -69.246115
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -13.392
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: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -199.364574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.364574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.364574 (E_RNA)
where:
Base-Base interactions energy: -128.530
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.544
local terms energy: -70.290926
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -166.512955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.512955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.512955 (E_RNA)
where:
Base-Base interactions energy: -96.039
where: short stacking energy: -50.490
Base-Backbone interact. energy: 1.238
local terms energy: -71.712534
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -12.924
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: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -168.108713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.108713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.108713 (E_RNA)
where:
Base-Base interactions energy: -100.474
where: short stacking energy: -50.475
Base-Backbone interact. energy: -0.247
local terms energy: -67.388284
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -10.569
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: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -101.388259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.388259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.388259 (E_RNA)
where:
Base-Base interactions energy: -45.225
where: short stacking energy: -39.848
Base-Backbone interact. energy: -0.230
local terms energy: -55.933581
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -100.637626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.637626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.637626 (E_RNA)
where:
Base-Base interactions energy: -42.392
where: short stacking energy: -39.815
Base-Backbone interact. energy: -0.135
local terms energy: -58.110484
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -6.612
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: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -168.666181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.666181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.666181 (E_RNA)
where:
Base-Base interactions energy: -112.742
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.528
local terms energy: -55.396165
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -8.201
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: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -79.691958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.691958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.691958 (E_RNA)
where:
Base-Base interactions energy: -34.328
where: short stacking energy: -32.781
Base-Backbone interact. energy: -0.014
local terms energy: -45.350214
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -8.577
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -221.101318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.101318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.101318 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -60.256
Base-Backbone interact. energy: -0.113
local terms energy: -79.696934
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -226.621021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.621021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.621021 (E_RNA)
where:
Base-Base interactions energy: -146.538
where: short stacking energy: -72.893
Base-Backbone interact. energy: 0.514
local terms energy: -80.597514
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -14.737
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: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -174.706797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.706797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.706797 (E_RNA)
where:
Base-Base interactions energy: -107.631
where: short stacking energy: -51.320
Base-Backbone interact. energy: -1.019
local terms energy: -66.057704
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -200.261570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.261570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.261570 (E_RNA)
where:
Base-Base interactions energy: -130.654
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.035
local terms energy: -69.572108
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -184.505755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.505755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.505755 (E_RNA)
where:
Base-Base interactions energy: -121.144
where: short stacking energy: -61.933
Base-Backbone interact. energy: -0.036
local terms energy: -63.326072
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -11.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -160.177345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.177345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.177345 (E_RNA)
where:
Base-Base interactions energy: -96.427
where: short stacking energy: -49.968
Base-Backbone interact. energy: 0.597
local terms energy: -64.347342
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -13.638
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: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -157.407728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.407728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.407728 (E_RNA)
where:
Base-Base interactions energy: -99.264
where: short stacking energy: -42.720
Base-Backbone interact. energy: -0.318
local terms energy: -57.825877
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -4.366
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: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -88.292858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292858 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -33.583
Base-Backbone interact. energy: -0.441
local terms energy: -52.771265
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -159.292062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.292062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.292062 (E_RNA)
where:
Base-Base interactions energy: -101.459
where: short stacking energy: -33.081
Base-Backbone interact. energy: -0.439
local terms energy: -57.394087
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -86.057084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.057084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.057084 (E_RNA)
where:
Base-Base interactions energy: -28.847
where: short stacking energy: -28.590
Base-Backbone interact. energy: -0.183
local terms energy: -57.026834
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -223.492147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.492147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.492147 (E_RNA)
where:
Base-Base interactions energy: -148.651
where: short stacking energy: -66.131
Base-Backbone interact. energy: -0.348
local terms energy: -74.493041
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -18.454
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: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -217.802593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.802593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.802593 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -75.254
Base-Backbone interact. energy: 0.558
local terms energy: -76.343850
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -213.367005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.367005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.367005 (E_RNA)
where:
Base-Base interactions energy: -140.679
where: short stacking energy: -65.058
Base-Backbone interact. energy: -0.225
local terms energy: -72.463377
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -208.783758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.783758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.783758 (E_RNA)
where:
Base-Base interactions energy: -130.225
where: short stacking energy: -68.461
Base-Backbone interact. energy: -0.003
local terms energy: -78.556119
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -180.408925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.408925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.408925 (E_RNA)
where:
Base-Base interactions energy: -102.590
where: short stacking energy: -49.017
Base-Backbone interact. energy: -0.465
local terms energy: -77.354335
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -15.876
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: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -152.080357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.080357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.080357 (E_RNA)
where:
Base-Base interactions energy: -92.576
where: short stacking energy: -53.316
Base-Backbone interact. energy: -0.209
local terms energy: -59.296012
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -105.133835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.133835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.133835 (E_RNA)
where:
Base-Base interactions energy: -41.473
where: short stacking energy: -39.012
Base-Backbone interact. energy: -0.771
local terms energy: -62.889818
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -135.338460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.338460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.338460 (E_RNA)
where:
Base-Base interactions energy: -73.580
where: short stacking energy: -37.156
Base-Backbone interact. energy: -0.157
local terms energy: -61.600898
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -91.969129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.969129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.969129 (E_RNA)
where:
Base-Base interactions energy: -33.689
where: short stacking energy: -29.488
Base-Backbone interact. energy: -0.230
local terms energy: -58.051100
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -6.707
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: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -92.543478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.543478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.543478 (E_RNA)
where:
Base-Base interactions energy: -35.545
where: short stacking energy: -35.545
Base-Backbone interact. energy: -0.211
local terms energy: -56.787902
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -2.573
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: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -232.838596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.838596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.838596 (E_RNA)
where:
Base-Base interactions energy: -147.650
where: short stacking energy: -78.938
Base-Backbone interact. energy: -0.050
local terms energy: -85.138569
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -223.320891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.320891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.320891 (E_RNA)
where:
Base-Base interactions energy: -144.219
where: short stacking energy: -72.165
Base-Backbone interact. energy: -0.239
local terms energy: -78.863373
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -9.587
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: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -222.905019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.905019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.905019 (E_RNA)
where:
Base-Base interactions energy: -139.816
where: short stacking energy: -80.053
Base-Backbone interact. energy: -0.028
local terms energy: -83.061145
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -24.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -207.663976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.663976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.663976 (E_RNA)
where:
Base-Base interactions energy: -138.643
where: short stacking energy: -62.388
Base-Backbone interact. energy: -0.341
local terms energy: -68.680392
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -170.335821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.335821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.335821 (E_RNA)
where:
Base-Base interactions energy: -101.163
where: short stacking energy: -51.975
Base-Backbone interact. energy: -0.093
local terms energy: -69.079701
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -178.503056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.503056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.503056 (E_RNA)
where:
Base-Base interactions energy: -116.517
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.016
local terms energy: -61.969380
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -152.737350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.737350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.737350 (E_RNA)
where:
Base-Base interactions energy: -93.657
where: short stacking energy: -42.879
Base-Backbone interact. energy: -0.235
local terms energy: -58.845388
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -5.870
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: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -91.870130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.870130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.870130 (E_RNA)
where:
Base-Base interactions energy: -41.973
where: short stacking energy: -38.981
Base-Backbone interact. energy: -0.263
local terms energy: -49.634343
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -11.165
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: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -94.668595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.668595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.668595 (E_RNA)
where:
Base-Base interactions energy: -38.019
where: short stacking energy: -26.543
Base-Backbone interact. energy: -0.939
local terms energy: -55.710630
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -86.786924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.786924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.786924 (E_RNA)
where:
Base-Base interactions energy: -36.372
where: short stacking energy: -36.372
Base-Backbone interact. energy: -0.242
local terms energy: -50.172640
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -226.224110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.224110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.224110 (E_RNA)
where:
Base-Base interactions energy: -144.729
where: short stacking energy: -71.433
Base-Backbone interact. energy: -0.369
local terms energy: -81.126012
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -14.422
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: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -219.844036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.844036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.844036 (E_RNA)
where:
Base-Base interactions energy: -138.290
where: short stacking energy: -71.219
Base-Backbone interact. energy: -0.518
local terms energy: -81.036422
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -20.062
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: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -214.435858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.435858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.435858 (E_RNA)
where:
Base-Base interactions energy: -146.820
where: short stacking energy: -57.899
Base-Backbone interact. energy: -0.069
local terms energy: -67.546196
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -5.597
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: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -206.747395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.747395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.747395 (E_RNA)
where:
Base-Base interactions energy: -149.245
where: short stacking energy: -57.332
Base-Backbone interact. energy: 0.555
local terms energy: -58.057361
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -12.987
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: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -190.122558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.122558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.122558 (E_RNA)
where:
Base-Base interactions energy: -124.562
where: short stacking energy: -64.154
Base-Backbone interact. energy: -0.286
local terms energy: -65.274537
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -10.966
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: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -182.768350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.768350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.768350 (E_RNA)
where:
Base-Base interactions energy: -113.273
where: short stacking energy: -55.760
Base-Backbone interact. energy: -0.288
local terms energy: -69.206763
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -169.701938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.701938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.701938 (E_RNA)
where:
Base-Base interactions energy: -116.110
where: short stacking energy: -47.252
Base-Backbone interact. energy: -0.421
local terms energy: -53.170495
where:
bonds (distance) C4'-P energy: -6.896
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -8.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -97.943455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.943455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.943455 (E_RNA)
where:
Base-Base interactions energy: -42.143
where: short stacking energy: -34.781
Base-Backbone interact. energy: -0.499
local terms energy: -55.301388
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -8.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -95.333834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.333834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.333834 (E_RNA)
where:
Base-Base interactions energy: -41.629
where: short stacking energy: -35.343
Base-Backbone interact. energy: -0.128
local terms energy: -53.576819
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -77.781658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.781658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.781658 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -28.864
Base-Backbone interact. energy: -0.152
local terms energy: -48.765716
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -239.350804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.350804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.350804 (E_RNA)
where:
Base-Base interactions energy: -150.017
where: short stacking energy: -84.635
Base-Backbone interact. energy: -0.011
local terms energy: -89.323227
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -24.512
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: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -216.060064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.060064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.060064 (E_RNA)
where:
Base-Base interactions energy: -143.978
where: short stacking energy: -71.304
Base-Backbone interact. energy: 1.173
local terms energy: -73.255617
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -11.580
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: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -230.711542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.711542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.711542 (E_RNA)
where:
Base-Base interactions energy: -158.176
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.749
local terms energy: -71.786441
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -198.199401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.199401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.199401 (E_RNA)
where:
Base-Base interactions energy: -127.136
where: short stacking energy: -60.109
Base-Backbone interact. energy: -0.294
local terms energy: -70.769555
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -185.573157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.573157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.573157 (E_RNA)
where:
Base-Base interactions energy: -114.085
where: short stacking energy: -48.355
Base-Backbone interact. energy: -0.206
local terms energy: -71.282628
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -180.475104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.475104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.475104 (E_RNA)
where:
Base-Base interactions energy: -109.626
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.110
local terms energy: -70.738312
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -109.607075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.607075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.607075 (E_RNA)
where:
Base-Base interactions energy: -42.852
where: short stacking energy: -40.369
Base-Backbone interact. energy: 1.203
local terms energy: -67.957747
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -146.286815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.286815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.286815 (E_RNA)
where:
Base-Base interactions energy: -88.274
where: short stacking energy: -35.360
Base-Backbone interact. energy: -0.111
local terms energy: -57.901827
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -6.412
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -10.048
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: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -83.242768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.242768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.242768 (E_RNA)
where:
Base-Base interactions energy: -33.540
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.059
local terms energy: -49.643398
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -83.176946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.176946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.176946 (E_RNA)
where:
Base-Base interactions energy: -27.601
where: short stacking energy: -21.910
Base-Backbone interact. energy: -0.144
local terms energy: -55.432233
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -234.683424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.683424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.683424 (E_RNA)
where:
Base-Base interactions energy: -145.342
where: short stacking energy: -79.044
Base-Backbone interact. energy: -1.020
local terms energy: -88.320777
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -25.897
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: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -227.654222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.654222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.654222 (E_RNA)
where:
Base-Base interactions energy: -151.057
where: short stacking energy: -62.422
Base-Backbone interact. energy: -2.106
local terms energy: -74.491153
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -16.771
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: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -217.428403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.428403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.428403 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -59.392
Base-Backbone interact. energy: -1.255
local terms energy: -69.772724
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.112
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: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -198.265829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.265829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.265829 (E_RNA)
where:
Base-Base interactions energy: -120.118
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.002
local terms energy: -78.146256
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -197.184688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.184688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.184688 (E_RNA)
where:
Base-Base interactions energy: -121.777
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.074
local terms energy: -75.333443
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -13.151
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: 31
Temperature: 1.150000
Total energy: -173.848712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.848712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.848712 (E_RNA)
where:
Base-Base interactions energy: -108.418
where: short stacking energy: -44.685
Base-Backbone interact. energy: 0.202
local terms energy: -65.632401
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -11.625
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: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -107.792411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.792411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.792411 (E_RNA)
where:
Base-Base interactions energy: -52.347
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.010
local terms energy: -55.435736
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -124.971726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.971726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.971726 (E_RNA)
where:
Base-Base interactions energy: -74.879
where: short stacking energy: -42.564
Base-Backbone interact. energy: -0.035
local terms energy: -50.057209
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -2.378
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: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -80.195606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.195606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.195606 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -27.293
Base-Backbone interact. energy: -0.242
local terms energy: -38.861107
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: 3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -81.553571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553571 (E_RNA)
where:
Base-Base interactions energy: -39.702
where: short stacking energy: -30.088
Base-Backbone interact. energy: 1.645
local terms energy: -43.495767
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -4.760
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: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -232.354973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.354973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.354973 (E_RNA)
where:
Base-Base interactions energy: -143.979
where: short stacking energy: -75.926
Base-Backbone interact. energy: -0.991
local terms energy: -87.385231
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -25.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -233.017171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.017171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.017171 (E_RNA)
where:
Base-Base interactions energy: -159.818
where: short stacking energy: -68.000
Base-Backbone interact. energy: -0.214
local terms energy: -72.985242
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -218.391864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.391864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.391864 (E_RNA)
where:
Base-Base interactions energy: -133.381
where: short stacking energy: -74.638
Base-Backbone interact. energy: -1.188
local terms energy: -83.823097
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -14.174
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: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -189.694093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.694093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.694093 (E_RNA)
where:
Base-Base interactions energy: -115.382
where: short stacking energy: -62.589
Base-Backbone interact. energy: 0.171
local terms energy: -74.483101
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -10.621
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: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -194.935992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.935992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.935992 (E_RNA)
where:
Base-Base interactions energy: -130.358
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.334
local terms energy: -64.243769
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -7.997
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: 32
Temperature: 1.150000
Total energy: -164.412088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.412088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.412088 (E_RNA)
where:
Base-Base interactions energy: -95.576
where: short stacking energy: -61.579
Base-Backbone interact. energy: -0.046
local terms energy: -68.789800
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -95.545601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.545601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.545601 (E_RNA)
where:
Base-Base interactions energy: -42.697
where: short stacking energy: -26.896
Base-Backbone interact. energy: -0.686
local terms energy: -52.162310
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -97.615491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.615491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.615491 (E_RNA)
where:
Base-Base interactions energy: -40.894
where: short stacking energy: -36.856
Base-Backbone interact. energy: -0.100
local terms energy: -56.622171
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -6.562
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: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -93.425107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.425107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.425107 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.249
local terms energy: -49.420187
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -2.278
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: 32
Temperature: 1.350000
Total energy: -82.386119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.386119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.386119 (E_RNA)
where:
Base-Base interactions energy: -27.501
where: short stacking energy: -19.041
Base-Backbone interact. energy: -0.512
local terms energy: -54.373209
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: 7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -239.952507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.952507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.952507 (E_RNA)
where:
Base-Base interactions energy: -147.113
where: short stacking energy: -79.644
Base-Backbone interact. energy: -0.752
local terms energy: -92.087021
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -25.217
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: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -210.318971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.318971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.318971 (E_RNA)
where:
Base-Base interactions energy: -128.406
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.733
local terms energy: -81.179719
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -239.045704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.045704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.045704 (E_RNA)
where:
Base-Base interactions energy: -176.062
where: short stacking energy: -65.022
Base-Backbone interact. energy: -0.396
local terms energy: -62.587320
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.614
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: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -208.328730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.328730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.328730 (E_RNA)
where:
Base-Base interactions energy: -138.894
where: short stacking energy: -60.689
Base-Backbone interact. energy: 0.441
local terms energy: -69.875467
where:
bonds (distance) C4'-P energy: -8.221
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -172.647108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.647108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.647108 (E_RNA)
where:
Base-Base interactions energy: -118.706
where: short stacking energy: -56.978
Base-Backbone interact. energy: 0.224
local terms energy: -54.165160
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -171.230334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.230334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.230334 (E_RNA)
where:
Base-Base interactions energy: -105.239
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.149
local terms energy: -65.841837
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -12.814
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: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -93.587232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.587232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.587232 (E_RNA)
where:
Base-Base interactions energy: -41.257
where: short stacking energy: -37.099
Base-Backbone interact. energy: -0.713
local terms energy: -51.617649
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -7.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -98.845175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.845175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.845175 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.400
local terms energy: -61.310122
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: 2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -92.912795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.912795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.912795 (E_RNA)
where:
Base-Base interactions energy: -46.061
where: short stacking energy: -38.518
Base-Backbone interact. energy: -0.104
local terms energy: -46.747650
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -6.341
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -87.106031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.106031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.106031 (E_RNA)
where:
Base-Base interactions energy: -34.788
where: short stacking energy: -34.711
Base-Backbone interact. energy: -0.050
local terms energy: -52.268011
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -213.804936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.804936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.804936 (E_RNA)
where:
Base-Base interactions energy: -137.763
where: short stacking energy: -76.431
Base-Backbone interact. energy: -0.001
local terms energy: -76.040878
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -9.900
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: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -221.303717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.303717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.303717 (E_RNA)
where:
Base-Base interactions energy: -138.494
where: short stacking energy: -73.934
Base-Backbone interact. energy: -0.406
local terms energy: -82.403303
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -9.565
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: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -208.112224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.112224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.112224 (E_RNA)
where:
Base-Base interactions energy: -133.006
where: short stacking energy: -62.731
Base-Backbone interact. energy: -0.022
local terms energy: -75.084800
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -219.670458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.670458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.670458 (E_RNA)
where:
Base-Base interactions energy: -152.788
where: short stacking energy: -61.894
Base-Backbone interact. energy: -0.993
local terms energy: -65.888790
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -5.358
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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -182.522998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.522998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.522998 (E_RNA)
where:
Base-Base interactions energy: -116.008
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.117
local terms energy: -66.397176
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -12.866
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: 34
Temperature: 1.150000
Total energy: -177.576926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.576926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.576926 (E_RNA)
where:
Base-Base interactions energy: -106.995
where: short stacking energy: -52.518
Base-Backbone interact. energy: 3.116
local terms energy: -73.697245
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -98.171458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.171458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.171458 (E_RNA)
where:
Base-Base interactions energy: -41.439
where: short stacking energy: -38.755
Base-Backbone interact. energy: -0.155
local terms energy: -56.577498
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -87.280400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.280400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.280400 (E_RNA)
where:
Base-Base interactions energy: -29.120
where: short stacking energy: -22.716
Base-Backbone interact. energy: -0.035
local terms energy: -58.125041
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -101.613491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.613491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.613491 (E_RNA)
where:
Base-Base interactions energy: -49.667
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.136
local terms energy: -51.810291
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -2.598
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: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -85.804898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.804898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.804898 (E_RNA)
where:
Base-Base interactions energy: -30.178
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.221
local terms energy: -55.406025
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -2.982
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: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -210.475364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.475364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.475364 (E_RNA)
where:
Base-Base interactions energy: -130.826
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.021
local terms energy: -79.629048
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -10.732
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -217.639578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.639578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.639578 (E_RNA)
where:
Base-Base interactions energy: -138.844
where: short stacking energy: -69.528
Base-Backbone interact. energy: -0.008
local terms energy: -78.786929
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -202.024667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.024667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.024667 (E_RNA)
where:
Base-Base interactions energy: -132.934
where: short stacking energy: -64.548
Base-Backbone interact. energy: -0.017
local terms energy: -69.072969
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -7.998
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: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -232.582644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.582644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.582644 (E_RNA)
where:
Base-Base interactions energy: -160.470
where: short stacking energy: -68.550
Base-Backbone interact. energy: -0.203
local terms energy: -71.909654
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -170.390861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.390861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.390861 (E_RNA)
where:
Base-Base interactions energy: -105.472
where: short stacking energy: -50.826
Base-Backbone interact. energy: -0.402
local terms energy: -64.517200
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -10.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -180.616159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.616159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.616159 (E_RNA)
where:
Base-Base interactions energy: -114.275
where: short stacking energy: -56.847
Base-Backbone interact. energy: -0.169
local terms energy: -66.172550
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -9.019
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: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -99.350147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.350147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.350147 (E_RNA)
where:
Base-Base interactions energy: -41.913
where: short stacking energy: -39.077
Base-Backbone interact. energy: 0.410
local terms energy: -57.847756
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -1.883
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -104.994751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.994751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.994751 (E_RNA)
where:
Base-Base interactions energy: -51.843
where: short stacking energy: -32.110
Base-Backbone interact. energy: -0.169
local terms energy: -52.983192
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -85.385679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.385679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.385679 (E_RNA)
where:
Base-Base interactions energy: -49.260
where: short stacking energy: -25.952
Base-Backbone interact. energy: -0.450
local terms energy: -35.675690
where:
bonds (distance) C4'-P energy: -6.353
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: 3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -83.296921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.296921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.296921 (E_RNA)
where:
Base-Base interactions energy: -21.681
where: short stacking energy: -19.247
Base-Backbone interact. energy: -0.598
local terms energy: -61.018674
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -221.537526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.537526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.537526 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -74.744
Base-Backbone interact. energy: -0.428
local terms energy: -75.499966
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -216.483901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.483901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.483901 (E_RNA)
where:
Base-Base interactions energy: -144.278
where: short stacking energy: -65.960
Base-Backbone interact. energy: -0.056
local terms energy: -72.149379
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -214.278877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.278877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.278877 (E_RNA)
where:
Base-Base interactions energy: -141.595
where: short stacking energy: -70.847
Base-Backbone interact. energy: 1.707
local terms energy: -74.391051
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -212.878696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.878696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.878696 (E_RNA)
where:
Base-Base interactions energy: -133.403
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.727
local terms energy: -78.748445
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -191.394374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.394374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.394374 (E_RNA)
where:
Base-Base interactions energy: -116.082
where: short stacking energy: -59.105
Base-Backbone interact. energy: -0.030
local terms energy: -75.283134
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -171.916806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.916806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.916806 (E_RNA)
where:
Base-Base interactions energy: -100.067
where: short stacking energy: -45.012
Base-Backbone interact. energy: -0.589
local terms energy: -71.260199
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -108.231589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.231589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.231589 (E_RNA)
where:
Base-Base interactions energy: -39.450
where: short stacking energy: -33.548
Base-Backbone interact. energy: 0.531
local terms energy: -69.313078
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -6.954
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: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -99.271512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.271512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.271512 (E_RNA)
where:
Base-Base interactions energy: -42.632
where: short stacking energy: -39.095
Base-Backbone interact. energy: -0.057
local terms energy: -56.582174
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -89.598873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.598873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.598873 (E_RNA)
where:
Base-Base interactions energy: -40.842
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.161
local terms energy: -48.595403
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: 2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -85.048819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.048819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.048819 (E_RNA)
where:
Base-Base interactions energy: -37.360
where: short stacking energy: -35.769
Base-Backbone interact. energy: -0.054
local terms energy: -47.635194
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -6.407
flat angles P-C4'-P energy: -10.928
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: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -223.098114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.098114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.098114 (E_RNA)
where:
Base-Base interactions energy: -146.326
where: short stacking energy: -77.242
Base-Backbone interact. energy: -0.269
local terms energy: -76.503752
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -232.724459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.724459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.724459 (E_RNA)
where:
Base-Base interactions energy: -145.050
where: short stacking energy: -70.591
Base-Backbone interact. energy: 0.009
local terms energy: -87.683886
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -202.082569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.082569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.082569 (E_RNA)
where:
Base-Base interactions energy: -118.947
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.000
local terms energy: -83.135747
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -223.238410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.238410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.238410 (E_RNA)
where:
Base-Base interactions energy: -135.192
where: short stacking energy: -76.851
Base-Backbone interact. energy: -1.623
local terms energy: -86.423066
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -22.533
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: 37
Temperature: 1.100000
Total energy: -191.267989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.267989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.267989 (E_RNA)
where:
Base-Base interactions energy: -117.177
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.140
local terms energy: -73.951030
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -168.499646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.499646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.499646 (E_RNA)
where:
Base-Base interactions energy: -110.281
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.572
local terms energy: -57.647127
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -9.915
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: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -94.168470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.168470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.168470 (E_RNA)
where:
Base-Base interactions energy: -43.632
where: short stacking energy: -34.531
Base-Backbone interact. energy: -0.164
local terms energy: -50.373280
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -91.566958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.566958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.566958 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -41.021
Base-Backbone interact. energy: -0.330
local terms energy: -50.216103
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -98.127741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.127741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.127741 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.162
local terms energy: -58.609216
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -8.283
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: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -83.158810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.158810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.158810 (E_RNA)
where:
Base-Base interactions energy: -25.007
where: short stacking energy: -11.102
Base-Backbone interact. energy: -0.359
local terms energy: -57.792841
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: 2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -234.201373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.201373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.201373 (E_RNA)
where:
Base-Base interactions energy: -155.000
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.118
local terms energy: -79.084176
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -16.645
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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -219.202136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.202136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.202136 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.037
local terms energy: -73.934685
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -202.020991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.020991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.020991 (E_RNA)
where:
Base-Base interactions energy: -122.290
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.019
local terms energy: -79.711999
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -212.289229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.289229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.289229 (E_RNA)
where:
Base-Base interactions energy: -129.149
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.117
local terms energy: -83.023569
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -186.539417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.539417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.539417 (E_RNA)
where:
Base-Base interactions energy: -123.734
where: short stacking energy: -51.989
Base-Backbone interact. energy: -0.162
local terms energy: -62.642743
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -11.970
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: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -146.808758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.808758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.808758 (E_RNA)
where:
Base-Base interactions energy: -82.082
where: short stacking energy: -46.613
Base-Backbone interact. energy: -0.077
local terms energy: -64.649508
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -7.932
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: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -104.015322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.015322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.015322 (E_RNA)
where:
Base-Base interactions energy: -50.408
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.133
local terms energy: -53.474103
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -1.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -95.069164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.069164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.069164 (E_RNA)
where:
Base-Base interactions energy: -43.691
where: short stacking energy: -42.446
Base-Backbone interact. energy: 1.744
local terms energy: -53.122507
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -91.883577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.883577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.883577 (E_RNA)
where:
Base-Base interactions energy: -32.376
where: short stacking energy: -24.846
Base-Backbone interact. energy: -1.212
local terms energy: -58.296087
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: 1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -83.871153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871153 (E_RNA)
where:
Base-Base interactions energy: -33.334
where: short stacking energy: -32.647
Base-Backbone interact. energy: -0.236
local terms energy: -50.301798
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.640
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: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -231.528965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.528965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.528965 (E_RNA)
where:
Base-Base interactions energy: -147.735
where: short stacking energy: -70.317
Base-Backbone interact. energy: -0.238
local terms energy: -83.555880
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -19.539
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: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -218.154244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.154244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.154244 (E_RNA)
where:
Base-Base interactions energy: -138.747
where: short stacking energy: -76.050
Base-Backbone interact. energy: -0.760
local terms energy: -78.647613
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -201.935468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.935468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.935468 (E_RNA)
where:
Base-Base interactions energy: -126.493
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.094
local terms energy: -75.348014
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -196.538490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.538490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.538490 (E_RNA)
where:
Base-Base interactions energy: -124.269
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.134
local terms energy: -72.135576
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -13.466
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: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -190.415260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.415260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.415260 (E_RNA)
where:
Base-Base interactions energy: -115.237
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.094
local terms energy: -75.084099
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -120.571390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.571390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.571390 (E_RNA)
where:
Base-Base interactions energy: -57.293
where: short stacking energy: -38.143
Base-Backbone interact. energy: -0.405
local terms energy: -62.873168
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -109.143501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.143501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.143501 (E_RNA)
where:
Base-Base interactions energy: -43.093
where: short stacking energy: -43.093
Base-Backbone interact. energy: -0.155
local terms energy: -65.895038
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -100.999397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.999397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.999397 (E_RNA)
where:
Base-Base interactions energy: -54.492
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.024
local terms energy: -46.483589
where:
bonds (distance) C4'-P energy: -7.212
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -88.654478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.654478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.654478 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -31.632
Base-Backbone interact. energy: 0.224
local terms energy: -54.027362
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -85.025565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.025565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.025565 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -31.030
Base-Backbone interact. energy: -0.150
local terms energy: -50.997653
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -5.352
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -234.265463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.265463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.265463 (E_RNA)
where:
Base-Base interactions energy: -148.206
where: short stacking energy: -66.615
Base-Backbone interact. energy: -0.918
local terms energy: -85.141896
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -21.271
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: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -209.727952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.727952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.727952 (E_RNA)
where:
Base-Base interactions energy: -132.265
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.133
local terms energy: -77.329755
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -20.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -196.938593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.938593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.938593 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -60.703
Base-Backbone interact. energy: -0.070
local terms energy: -68.785952
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -200.026278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.026278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.026278 (E_RNA)
where:
Base-Base interactions energy: -128.266
where: short stacking energy: -62.641
Base-Backbone interact. energy: -0.105
local terms energy: -71.654894
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -174.753141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.753141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.753141 (E_RNA)
where:
Base-Base interactions energy: -105.935
where: short stacking energy: -63.218
Base-Backbone interact. energy: -0.019
local terms energy: -68.799350
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -15.499
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: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -106.663486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.663486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.663486 (E_RNA)
where:
Base-Base interactions energy: -47.561
where: short stacking energy: -41.304
Base-Backbone interact. energy: -0.507
local terms energy: -58.594858
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -105.612664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.612664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.612664 (E_RNA)
where:
Base-Base interactions energy: -49.194
where: short stacking energy: -45.265
Base-Backbone interact. energy: -0.082
local terms energy: -56.337552
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -7.896
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: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -90.938182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.938182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.938182 (E_RNA)
where:
Base-Base interactions energy: -30.823
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.137
local terms energy: -59.978220
where:
bonds (distance) C4'-P energy: -7.584
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -98.479508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.479508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.479508 (E_RNA)
where:
Base-Base interactions energy: -46.341
where: short stacking energy: -33.364
Base-Backbone interact. energy: -0.005
local terms energy: -52.133613
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -95.999588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.999588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.999588 (E_RNA)
where:
Base-Base interactions energy: -32.754
where: short stacking energy: -32.640
Base-Backbone interact. energy: -0.275
local terms energy: -62.970507
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -239.886105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.886105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.886105 (E_RNA)
where:
Base-Base interactions energy: -152.051
where: short stacking energy: -70.496
Base-Backbone interact. energy: -1.370
local terms energy: -86.464994
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -14.057
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: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -211.392429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.392429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.392429 (E_RNA)
where:
Base-Base interactions energy: -135.625
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.021
local terms energy: -75.746563
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -14.483
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: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -203.727644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.727644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.727644 (E_RNA)
where:
Base-Base interactions energy: -141.739
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.496
local terms energy: -61.491874
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -7.489
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: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -180.889488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.889488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.889488 (E_RNA)
where:
Base-Base interactions energy: -104.908
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.111
local terms energy: -75.871335
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -10.784
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: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -198.272031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.272031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.272031 (E_RNA)
where:
Base-Base interactions energy: -131.682
where: short stacking energy: -63.892
Base-Backbone interact. energy: -0.960
local terms energy: -65.629863
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -116.208846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.208846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.208846 (E_RNA)
where:
Base-Base interactions energy: -61.763
where: short stacking energy: -36.748
Base-Backbone interact. energy: -0.679
local terms energy: -53.767369
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -9.761
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: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -113.304549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.304549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.304549 (E_RNA)
where:
Base-Base interactions energy: -43.818
where: short stacking energy: -43.818
Base-Backbone interact. energy: -0.412
local terms energy: -69.075284
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -106.369022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.369022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.369022 (E_RNA)
where:
Base-Base interactions energy: -45.009
where: short stacking energy: -24.512
Base-Backbone interact. energy: -0.014
local terms energy: -61.346038
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -123.207822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.207822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.207822 (E_RNA)
where:
Base-Base interactions energy: -63.423
where: short stacking energy: -38.239
Base-Backbone interact. energy: -0.099
local terms energy: -59.685219
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -88.447495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.447495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.447495 (E_RNA)
where:
Base-Base interactions energy: -39.508
where: short stacking energy: -28.371
Base-Backbone interact. energy: -0.054
local terms energy: -48.884779
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -5.938
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: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -231.444870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.444870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.444870 (E_RNA)
where:
Base-Base interactions energy: -151.261
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.704
local terms energy: -79.479860
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -18.187
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: 42
Temperature: 0.950000
Total energy: -215.664945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.664945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.664945 (E_RNA)
where:
Base-Base interactions energy: -147.611
where: short stacking energy: -66.186
Base-Backbone interact. energy: -0.024
local terms energy: -68.030049
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -215.586465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.586465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.586465 (E_RNA)
where:
Base-Base interactions energy: -140.905
where: short stacking energy: -67.934
Base-Backbone interact. energy: -0.040
local terms energy: -74.641400
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -210.950392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.950392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.950392 (E_RNA)
where:
Base-Base interactions energy: -129.162
where: short stacking energy: -71.919
Base-Backbone interact. energy: -0.065
local terms energy: -81.722980
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -201.335442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.335442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.335442 (E_RNA)
where:
Base-Base interactions energy: -121.703
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.237
local terms energy: -79.395294
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -19.483
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: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -104.260542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.260542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.260542 (E_RNA)
where:
Base-Base interactions energy: -45.546
where: short stacking energy: -39.862
Base-Backbone interact. energy: -0.267
local terms energy: -58.448149
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -94.217406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.217406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.217406 (E_RNA)
where:
Base-Base interactions energy: -41.788
where: short stacking energy: -36.853
Base-Backbone interact. energy: 0.911
local terms energy: -53.340544
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -108.295883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.295883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.295883 (E_RNA)
where:
Base-Base interactions energy: -53.951
where: short stacking energy: -42.875
Base-Backbone interact. energy: 0.979
local terms energy: -55.323834
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -99.273413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273413 (E_RNA)
where:
Base-Base interactions energy: -47.685
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.911
local terms energy: -50.678096
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -85.207038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.207038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.207038 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -22.687
Base-Backbone interact. energy: -0.085
local terms energy: -53.986506
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -231.518935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.518935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.518935 (E_RNA)
where:
Base-Base interactions energy: -154.114
where: short stacking energy: -80.414
Base-Backbone interact. energy: -0.162
local terms energy: -77.243895
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -209.203221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.203221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.203221 (E_RNA)
where:
Base-Base interactions energy: -132.332
where: short stacking energy: -70.158
Base-Backbone interact. energy: -0.006
local terms energy: -76.864927
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -208.547479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.547479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.547479 (E_RNA)
where:
Base-Base interactions energy: -121.174
where: short stacking energy: -65.126
Base-Backbone interact. energy: -0.033
local terms energy: -87.340378
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -22.651
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: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -203.885488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.885488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.885488 (E_RNA)
where:
Base-Base interactions energy: -131.921
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.009
local terms energy: -71.954860
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -19.297
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: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -188.539581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.539581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.539581 (E_RNA)
where:
Base-Base interactions energy: -117.618
where: short stacking energy: -57.996
Base-Backbone interact. energy: -0.571
local terms energy: -70.350132
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -105.517753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.517753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.517753 (E_RNA)
where:
Base-Base interactions energy: -44.092
where: short stacking energy: -35.457
Base-Backbone interact. energy: -0.128
local terms energy: -61.298013
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -12.027
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: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -93.946417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.946417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.946417 (E_RNA)
where:
Base-Base interactions energy: -35.314
where: short stacking energy: -35.294
Base-Backbone interact. energy: -0.134
local terms energy: -58.498650
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.097
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: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -97.329791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.329791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.329791 (E_RNA)
where:
Base-Base interactions energy: -37.803
where: short stacking energy: -29.030
Base-Backbone interact. energy: -0.100
local terms energy: -59.426553
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -80.459351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459351 (E_RNA)
where:
Base-Base interactions energy: -30.861
where: short stacking energy: -25.096
Base-Backbone interact. energy: 1.126
local terms energy: -50.724627
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -87.070650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.070650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.070650 (E_RNA)
where:
Base-Base interactions energy: -35.695
where: short stacking energy: -24.186
Base-Backbone interact. energy: -0.830
local terms energy: -50.545883
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -7.755
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -2.339
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: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -226.741036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.741036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.741036 (E_RNA)
where:
Base-Base interactions energy: -146.866
where: short stacking energy: -77.704
Base-Backbone interact. energy: -0.058
local terms energy: -79.817297
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -233.836030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.836030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.836030 (E_RNA)
where:
Base-Base interactions energy: -160.154
where: short stacking energy: -67.199
Base-Backbone interact. energy: -0.390
local terms energy: -73.291709
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -11.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -212.116126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.116126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.116126 (E_RNA)
where:
Base-Base interactions energy: -140.837
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.228
local terms energy: -71.051654
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -194.577444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.577444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.577444 (E_RNA)
where:
Base-Base interactions energy: -118.618
where: short stacking energy: -67.145
Base-Backbone interact. energy: -0.026
local terms energy: -75.932691
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -19.262
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: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -169.616932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.616932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.616932 (E_RNA)
where:
Base-Base interactions energy: -107.423
where: short stacking energy: -45.976
Base-Backbone interact. energy: -1.383
local terms energy: -60.810854
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -8.699
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: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -119.889557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.889557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.889557 (E_RNA)
where:
Base-Base interactions energy: -60.059
where: short stacking energy: -40.332
Base-Backbone interact. energy: -0.462
local terms energy: -59.369025
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -94.447195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.447195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.447195 (E_RNA)
where:
Base-Base interactions energy: -39.415
where: short stacking energy: -35.141
Base-Backbone interact. energy: -0.226
local terms energy: -54.806119
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -95.690661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.690661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.690661 (E_RNA)
where:
Base-Base interactions energy: -37.308
where: short stacking energy: -37.308
Base-Backbone interact. energy: -0.646
local terms energy: -57.736757
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -99.078514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.078514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.078514 (E_RNA)
where:
Base-Base interactions energy: -39.175
where: short stacking energy: -37.983
Base-Backbone interact. energy: -0.351
local terms energy: -59.552923
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.015240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.015240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.015240 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -23.511
Base-Backbone interact. energy: 1.305
local terms energy: -47.926116
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -11.304
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: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -228.717721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.717721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.717721 (E_RNA)
where:
Base-Base interactions energy: -145.342
where: short stacking energy: -66.894
Base-Backbone interact. energy: -1.155
local terms energy: -82.220961
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -229.897739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.897739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.897739 (E_RNA)
where:
Base-Base interactions energy: -149.092
where: short stacking energy: -75.007
Base-Backbone interact. energy: -0.039
local terms energy: -80.767183
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -228.979242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.979242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.979242 (E_RNA)
where:
Base-Base interactions energy: -156.405
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.871
local terms energy: -71.703487
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -178.462222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.462222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.462222 (E_RNA)
where:
Base-Base interactions energy: -112.535
where: short stacking energy: -56.063
Base-Backbone interact. energy: 1.531
local terms energy: -67.457349
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -192.185533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.185533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.185533 (E_RNA)
where:
Base-Base interactions energy: -124.190
where: short stacking energy: -69.460
Base-Backbone interact. energy: -0.006
local terms energy: -67.989092
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -7.949
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: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -104.161225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.161225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.161225 (E_RNA)
where:
Base-Base interactions energy: -46.265
where: short stacking energy: -43.504
Base-Backbone interact. energy: -0.490
local terms energy: -57.406259
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -6.475
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: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -104.415097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.415097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.415097 (E_RNA)
where:
Base-Base interactions energy: -42.771
where: short stacking energy: -35.663
Base-Backbone interact. energy: -0.102
local terms energy: -61.541626
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -8.580
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: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -92.381728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.381728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.381728 (E_RNA)
where:
Base-Base interactions energy: -38.951
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.023
local terms energy: -53.407380
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -82.887820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.887820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.887820 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -29.143
Base-Backbone interact. energy: 0.003
local terms energy: -48.054964
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -7.442
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: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -89.817428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.817428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.817428 (E_RNA)
where:
Base-Base interactions energy: -31.848
where: short stacking energy: -28.299
Base-Backbone interact. energy: -0.238
local terms energy: -57.730956
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -222.233523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.233523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.233523 (E_RNA)
where:
Base-Base interactions energy: -148.965
where: short stacking energy: -76.693
Base-Backbone interact. energy: 0.676
local terms energy: -73.944500
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.982
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: 46
Temperature: 0.950000
Total energy: -226.086203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.086203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.086203 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -75.378
Base-Backbone interact. energy: -0.681
local terms energy: -76.086134
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -237.059943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.059943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.059943 (E_RNA)
where:
Base-Base interactions energy: -159.364
where: short stacking energy: -65.151
Base-Backbone interact. energy: -0.373
local terms energy: -77.322525
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -178.492018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.492018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.492018 (E_RNA)
where:
Base-Base interactions energy: -106.189
where: short stacking energy: -43.456
Base-Backbone interact. energy: -0.156
local terms energy: -72.147446
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -185.477739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.477739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.477739 (E_RNA)
where:
Base-Base interactions energy: -113.990
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.110
local terms energy: -71.377454
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -107.602559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.602559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.602559 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.070
local terms energy: -66.268471
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -112.004393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.004393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.004393 (E_RNA)
where:
Base-Base interactions energy: -49.289
where: short stacking energy: -45.071
Base-Backbone interact. energy: -0.169
local terms energy: -62.546366
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -104.591476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.591476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.591476 (E_RNA)
where:
Base-Base interactions energy: -41.369
where: short stacking energy: -39.365
Base-Backbone interact. energy: -0.179
local terms energy: -63.043343
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -9.517
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: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -99.014928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.014928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.014928 (E_RNA)
where:
Base-Base interactions energy: -42.903
where: short stacking energy: -42.713
Base-Backbone interact. energy: -0.247
local terms energy: -55.865080
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -5.155
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: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -84.527287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.527287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.527287 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -25.536
Base-Backbone interact. energy: -0.699
local terms energy: -45.949514
where:
bonds (distance) C4'-P energy: -4.576
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -216.305349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.305349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.305349 (E_RNA)
where:
Base-Base interactions energy: -137.728
where: short stacking energy: -73.330
Base-Backbone interact. energy: -0.299
local terms energy: -78.278458
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -10.419
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: 2, replica: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -233.321681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.321681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.321681 (E_RNA)
where:
Base-Base interactions energy: -161.658
where: short stacking energy: -69.274
Base-Backbone interact. energy: -0.310
local terms energy: -71.353253
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -218.756831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.756831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.756831 (E_RNA)
where:
Base-Base interactions energy: -148.529
where: short stacking energy: -67.134
Base-Backbone interact. energy: -0.028
local terms energy: -70.199683
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -187.566624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.566624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.566624 (E_RNA)
where:
Base-Base interactions energy: -107.332
where: short stacking energy: -64.768
Base-Backbone interact. energy: 0.094
local terms energy: -80.329376
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -172.813436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.813436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.813436 (E_RNA)
where:
Base-Base interactions energy: -108.725
where: short stacking energy: -56.078
Base-Backbone interact. energy: -1.093
local terms energy: -62.995192
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -119.907845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.907845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.907845 (E_RNA)
where:
Base-Base interactions energy: -52.786
where: short stacking energy: -46.063
Base-Backbone interact. energy: -0.227
local terms energy: -66.895140
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -97.921023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.921023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.921023 (E_RNA)
where:
Base-Base interactions energy: -44.391
where: short stacking energy: -43.473
Base-Backbone interact. energy: 2.024
local terms energy: -55.554171
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -9.707
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: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -105.828533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.828533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.828533 (E_RNA)
where:
Base-Base interactions energy: -52.096
where: short stacking energy: -29.595
Base-Backbone interact. energy: -0.276
local terms energy: -53.456002
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -83.831773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.831773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.831773 (E_RNA)
where:
Base-Base interactions energy: -29.845
where: short stacking energy: -29.216
Base-Backbone interact. energy: 0.940
local terms energy: -54.927379
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -3.981
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: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -76.272578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.272578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.272578 (E_RNA)
where:
Base-Base interactions energy: -38.290
where: short stacking energy: -19.551
Base-Backbone interact. energy: 0.226
local terms energy: -38.208353
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -1.803
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: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -243.152048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.152048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.152048 (E_RNA)
where:
Base-Base interactions energy: -168.619
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.940
local terms energy: -73.593193
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -17.802
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: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -228.823910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.823910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.823910 (E_RNA)
where:
Base-Base interactions energy: -151.500
where: short stacking energy: -78.373
Base-Backbone interact. energy: -0.000
local terms energy: -77.323938
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -200.047916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.047916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.047916 (E_RNA)
where:
Base-Base interactions energy: -124.805
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.091
local terms energy: -75.151974
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -206.819257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.819257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.819257 (E_RNA)
where:
Base-Base interactions energy: -128.310
where: short stacking energy: -72.846
Base-Backbone interact. energy: -0.006
local terms energy: -78.503380
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -166.664695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.664695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.664695 (E_RNA)
where:
Base-Base interactions energy: -96.566
where: short stacking energy: -48.378
Base-Backbone interact. energy: 0.410
local terms energy: -70.508387
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -117.622705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.622705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.622705 (E_RNA)
where:
Base-Base interactions energy: -52.503
where: short stacking energy: -32.068
Base-Backbone interact. energy: -1.431
local terms energy: -63.688543
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -3.860
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: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -103.191942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.191942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.191942 (E_RNA)
where:
Base-Base interactions energy: -40.929
where: short stacking energy: -38.870
Base-Backbone interact. energy: 0.046
local terms energy: -62.308637
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -93.150492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.150492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.150492 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.170
local terms energy: -59.805750
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -82.073615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.073615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.073615 (E_RNA)
where:
Base-Base interactions energy: -41.674
where: short stacking energy: -32.431
Base-Backbone interact. energy: -0.929
local terms energy: -39.470653
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -5.600
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: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -78.769505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.769505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.769505 (E_RNA)
where:
Base-Base interactions energy: -30.582
where: short stacking energy: -10.961
Base-Backbone interact. energy: -0.285
local terms energy: -47.902578
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: 0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -237.680015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.680015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.680015 (E_RNA)
where:
Base-Base interactions energy: -166.280
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.459
local terms energy: -70.941194
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -210.863957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.863957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.863957 (E_RNA)
where:
Base-Base interactions energy: -138.268
where: short stacking energy: -64.135
Base-Backbone interact. energy: -0.010
local terms energy: -72.585198
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -202.679216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.679216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.679216 (E_RNA)
where:
Base-Base interactions energy: -123.279
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.012
local terms energy: -79.388396
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -207.868903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.868903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.868903 (E_RNA)
where:
Base-Base interactions energy: -130.180
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.003
local terms energy: -77.685690
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -131.902723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.902723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.902723 (E_RNA)
where:
Base-Base interactions energy: -71.936
where: short stacking energy: -39.052
Base-Backbone interact. energy: -0.082
local terms energy: -59.884146
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -100.337375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.337375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.337375 (E_RNA)
where:
Base-Base interactions energy: -40.551
where: short stacking energy: -38.848
Base-Backbone interact. energy: -0.462
local terms energy: -59.325107
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -102.040613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.040613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.040613 (E_RNA)
where:
Base-Base interactions energy: -45.257
where: short stacking energy: -44.696
Base-Backbone interact. energy: -0.184
local terms energy: -56.599325
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -89.978242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.978242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.978242 (E_RNA)
where:
Base-Base interactions energy: -36.879
where: short stacking energy: -30.362
Base-Backbone interact. energy: 0.120
local terms energy: -53.219068
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -7.247
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: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -89.514681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514681 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -34.376
Base-Backbone interact. energy: 0.144
local terms energy: -54.335497
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -84.636489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636489 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -21.510
Base-Backbone interact. energy: -0.174
local terms energy: -54.360757
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: 1.614
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: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -246.268544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.268544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.268544 (E_RNA)
where:
Base-Base interactions energy: -166.204
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.366
local terms energy: -79.697668
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.691
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: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -208.539925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.539925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.539925 (E_RNA)
where:
Base-Base interactions energy: -140.196
where: short stacking energy: -47.544
Base-Backbone interact. energy: -0.098
local terms energy: -68.246474
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -199.065652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.065652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.065652 (E_RNA)
where:
Base-Base interactions energy: -119.420
where: short stacking energy: -60.969
Base-Backbone interact. energy: -0.231
local terms energy: -79.413897
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -184.609043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.609043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.609043 (E_RNA)
where:
Base-Base interactions energy: -118.526
where: short stacking energy: -58.211
Base-Backbone interact. energy: -0.380
local terms energy: -65.703554
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -7.939
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: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -104.633215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.633215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.633215 (E_RNA)
where:
Base-Base interactions energy: -38.718
where: short stacking energy: -33.361
Base-Backbone interact. energy: -0.110
local terms energy: -65.806025
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -144.550766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.550766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.550766 (E_RNA)
where:
Base-Base interactions energy: -84.062
where: short stacking energy: -46.267
Base-Backbone interact. energy: -0.134
local terms energy: -60.354953
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -97.455148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.455148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.455148 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -34.647
Base-Backbone interact. energy: -1.545
local terms energy: -60.683633
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -107.819274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.819274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.819274 (E_RNA)
where:
Base-Base interactions energy: -45.450
where: short stacking energy: -25.682
Base-Backbone interact. energy: -0.156
local terms energy: -62.212753
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -9.264
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: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -82.597827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.597827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.597827 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -32.751
Base-Backbone interact. energy: -0.017
local terms energy: -46.448183
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -10.065
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -86.885769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.885769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.885769 (E_RNA)
where:
Base-Base interactions energy: -40.564
where: short stacking energy: -38.027
Base-Backbone interact. energy: -1.209
local terms energy: -45.113538
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -7.575
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -3.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -242.228909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.228909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.228909 (E_RNA)
where:
Base-Base interactions energy: -171.946
where: short stacking energy: -64.604
Base-Backbone interact. energy: 0.343
local terms energy: -70.625645
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -206.867063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.867063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.867063 (E_RNA)
where:
Base-Base interactions energy: -137.497
where: short stacking energy: -57.074
Base-Backbone interact. energy: -0.198
local terms energy: -69.171731
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -12.780
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: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -195.817500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.817500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.817500 (E_RNA)
where:
Base-Base interactions energy: -122.406
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.015
local terms energy: -73.396736
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -14.596
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: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -201.290885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.290885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.290885 (E_RNA)
where:
Base-Base interactions energy: -122.571
where: short stacking energy: -61.949
Base-Backbone interact. energy: -1.335
local terms energy: -77.384542
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -127.201106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.201106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.201106 (E_RNA)
where:
Base-Base interactions energy: -65.728
where: short stacking energy: -39.401
Base-Backbone interact. energy: -0.132
local terms energy: -61.340576
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -148.443538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.443538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.443538 (E_RNA)
where:
Base-Base interactions energy: -86.669
where: short stacking energy: -44.698
Base-Backbone interact. energy: -0.133
local terms energy: -61.640737
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -105.979829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.979829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.979829 (E_RNA)
where:
Base-Base interactions energy: -41.572
where: short stacking energy: -39.339
Base-Backbone interact. energy: -0.062
local terms energy: -64.345982
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -99.621461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.621461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.621461 (E_RNA)
where:
Base-Base interactions energy: -42.009
where: short stacking energy: -37.339
Base-Backbone interact. energy: -0.221
local terms energy: -57.391452
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -4.523
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: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -89.373391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.373391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.373391 (E_RNA)
where:
Base-Base interactions energy: -38.612
where: short stacking energy: -21.656
Base-Backbone interact. energy: -0.461
local terms energy: -50.299839
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -1.662
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: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -90.223401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.223401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.223401 (E_RNA)
where:
Base-Base interactions energy: -32.110
where: short stacking energy: -32.110
Base-Backbone interact. energy: -0.146
local terms energy: -57.967371
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -212.135760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.135760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.135760 (E_RNA)
where:
Base-Base interactions energy: -132.264
where: short stacking energy: -71.935
Base-Backbone interact. energy: -0.115
local terms energy: -79.756739
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -9.511
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: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -236.576170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.576170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.576170 (E_RNA)
where:
Base-Base interactions energy: -161.268
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.400
local terms energy: -74.908590
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -18.176
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: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -211.667707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.667707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.667707 (E_RNA)
where:
Base-Base interactions energy: -130.164
where: short stacking energy: -66.008
Base-Backbone interact. energy: 0.588
local terms energy: -82.091622
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -197.533725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.533725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.533725 (E_RNA)
where:
Base-Base interactions energy: -120.921
where: short stacking energy: -61.568
Base-Backbone interact. energy: -0.001
local terms energy: -76.612264
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -169.360980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.360980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.360980 (E_RNA)
where:
Base-Base interactions energy: -96.034
where: short stacking energy: -53.502
Base-Backbone interact. energy: -0.730
local terms energy: -72.597516
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -101.253560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.253560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.253560 (E_RNA)
where:
Base-Base interactions energy: -45.611
where: short stacking energy: -45.160
Base-Backbone interact. energy: -0.037
local terms energy: -55.606096
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -7.720
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -106.165402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.165402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.165402 (E_RNA)
where:
Base-Base interactions energy: -44.280
where: short stacking energy: -35.429
Base-Backbone interact. energy: -0.285
local terms energy: -61.601131
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -10.883
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: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -97.990284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.990284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.990284 (E_RNA)
where:
Base-Base interactions energy: -41.827
where: short stacking energy: -26.091
Base-Backbone interact. energy: -0.223
local terms energy: -55.940385
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -6.736
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: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -100.510971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.510971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.510971 (E_RNA)
where:
Base-Base interactions energy: -48.695
where: short stacking energy: -40.641
Base-Backbone interact. energy: 2.250
local terms energy: -54.065182
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -90.834824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.834824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.834824 (E_RNA)
where:
Base-Base interactions energy: -38.552
where: short stacking energy: -18.765
Base-Backbone interact. energy: -0.380
local terms energy: -51.902990
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: 0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -206.722427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.722427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.722427 (E_RNA)
where:
Base-Base interactions energy: -125.274
where: short stacking energy: -69.598
Base-Backbone interact. energy: -0.045
local terms energy: -81.403790
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -212.454921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.454921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.454921 (E_RNA)
where:
Base-Base interactions energy: -133.870
where: short stacking energy: -68.330
Base-Backbone interact. energy: 0.302
local terms energy: -78.887604
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -234.295184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.295184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.295184 (E_RNA)
where:
Base-Base interactions energy: -159.151
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.220
local terms energy: -74.924786
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -191.707251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.707251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.707251 (E_RNA)
where:
Base-Base interactions energy: -116.797
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.113
local terms energy: -74.796737
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -177.596489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.596489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.596489 (E_RNA)
where:
Base-Base interactions energy: -107.329
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.009
local terms energy: -70.258160
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -105.966882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.966882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.966882 (E_RNA)
where:
Base-Base interactions energy: -42.412
where: short stacking energy: -39.785
Base-Backbone interact. energy: -0.109
local terms energy: -63.445581
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.377
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: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -89.010492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.010492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.010492 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -23.266
Base-Backbone interact. energy: -0.046
local terms energy: -55.760752
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -3.969
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: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -109.850363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.850363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.850363 (E_RNA)
where:
Base-Base interactions energy: -55.924
where: short stacking energy: -39.325
Base-Backbone interact. energy: -0.180
local terms energy: -53.746190
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -84.886573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.886573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.886573 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -29.742
Base-Backbone interact. energy: -0.054
local terms energy: -50.485900
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: 1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -76.992275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.992275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.992275 (E_RNA)
where:
Base-Base interactions energy: -28.396
where: short stacking energy: -20.990
Base-Backbone interact. energy: -0.627
local terms energy: -47.969254
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -9.341
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: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -223.076145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.076145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.076145 (E_RNA)
where:
Base-Base interactions energy: -142.229
where: short stacking energy: -71.860
Base-Backbone interact. energy: -2.029
local terms energy: -78.818778
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -198.098487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.098487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.098487 (E_RNA)
where:
Base-Base interactions energy: -123.564
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.035
local terms energy: -74.499930
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -234.631042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.631042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.631042 (E_RNA)
where:
Base-Base interactions energy: -154.815
where: short stacking energy: -62.308
Base-Backbone interact. energy: -1.846
local terms energy: -77.970197
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -193.877343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.877343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.877343 (E_RNA)
where:
Base-Base interactions energy: -124.132
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.065
local terms energy: -69.680584
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -191.861345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.861345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.861345 (E_RNA)
where:
Base-Base interactions energy: -123.294
where: short stacking energy: -59.716
Base-Backbone interact. energy: -0.114
local terms energy: -68.452642
where:
bonds (distance) C4'-P energy: -6.958
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -107.559324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.559324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.559324 (E_RNA)
where:
Base-Base interactions energy: -51.644
where: short stacking energy: -48.421
Base-Backbone interact. energy: -0.070
local terms energy: -55.845015
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -97.015868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.015868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.015868 (E_RNA)
where:
Base-Base interactions energy: -44.592
where: short stacking energy: -36.475
Base-Backbone interact. energy: -0.264
local terms energy: -52.159479
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -95.353743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.353743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.353743 (E_RNA)
where:
Base-Base interactions energy: -37.617
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.144
local terms energy: -57.592559
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -92.175335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.175335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.175335 (E_RNA)
where:
Base-Base interactions energy: -41.219
where: short stacking energy: -20.195
Base-Backbone interact. energy: -1.165
local terms energy: -49.791736
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -7.469
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -76.327239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.327239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.327239 (E_RNA)
where:
Base-Base interactions energy: -32.865
where: short stacking energy: -22.460
Base-Backbone interact. energy: -0.401
local terms energy: -43.061040
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -12.082
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: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -227.465627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.465627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.465627 (E_RNA)
where:
Base-Base interactions energy: -143.178
where: short stacking energy: -77.614
Base-Backbone interact. energy: -0.309
local terms energy: -83.979387
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -11.147
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: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -244.300038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.300038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.300038 (E_RNA)
where:
Base-Base interactions energy: -168.934
where: short stacking energy: -73.217
Base-Backbone interact. energy: -0.184
local terms energy: -75.181946
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -212.827701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.827701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.827701 (E_RNA)
where:
Base-Base interactions energy: -146.215
where: short stacking energy: -67.051
Base-Backbone interact. energy: 0.183
local terms energy: -66.795371
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -11.623
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: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -203.602120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.602120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.602120 (E_RNA)
where:
Base-Base interactions energy: -125.166
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.486
local terms energy: -77.950181
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -19.664
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: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -171.166185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.166185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.166185 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -35.630
Base-Backbone interact. energy: -0.405
local terms energy: -57.830198
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -5.962
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: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -102.523646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.523646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.523646 (E_RNA)
where:
Base-Base interactions energy: -44.324
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.384
local terms energy: -57.815782
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -115.156118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.156118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.156118 (E_RNA)
where:
Base-Base interactions energy: -44.665
where: short stacking energy: -44.665
Base-Backbone interact. energy: -0.000
local terms energy: -70.490848
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -84.899517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.899517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.899517 (E_RNA)
where:
Base-Base interactions energy: -32.599
where: short stacking energy: -26.492
Base-Backbone interact. energy: -0.512
local terms energy: -51.787657
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -2.086
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: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -84.537944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.537944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.537944 (E_RNA)
where:
Base-Base interactions energy: -33.564
where: short stacking energy: -27.556
Base-Backbone interact. energy: 0.769
local terms energy: -51.743038
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: 1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -85.680517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.680517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.680517 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.942
local terms energy: -53.642015
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -242.565818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.565818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.565818 (E_RNA)
where:
Base-Base interactions energy: -158.906
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.444
local terms energy: -83.214850
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -16.645
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: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -227.289458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.289458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.289458 (E_RNA)
where:
Base-Base interactions energy: -148.650
where: short stacking energy: -67.099
Base-Backbone interact. energy: -0.074
local terms energy: -78.566098
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -21.195
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: 56
Temperature: 1.000000
Total energy: -207.176460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.176460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.176460 (E_RNA)
where:
Base-Base interactions energy: -133.505
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.460
local terms energy: -73.211789
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -12.927
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: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -194.738637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.738637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.738637 (E_RNA)
where:
Base-Base interactions energy: -126.753
where: short stacking energy: -62.935
Base-Backbone interact. energy: -0.084
local terms energy: -67.901313
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -15.844
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: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -192.685903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.685903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.685903 (E_RNA)
where:
Base-Base interactions energy: -118.247
where: short stacking energy: -70.898
Base-Backbone interact. energy: -0.113
local terms energy: -74.325158
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -94.998778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.998778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.998778 (E_RNA)
where:
Base-Base interactions energy: -45.545
where: short stacking energy: -30.509
Base-Backbone interact. energy: -0.275
local terms energy: -49.178890
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: 2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -111.169892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.169892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.169892 (E_RNA)
where:
Base-Base interactions energy: -43.436
where: short stacking energy: -43.436
Base-Backbone interact. energy: -0.762
local terms energy: -66.971884
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -107.228912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.228912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.228912 (E_RNA)
where:
Base-Base interactions energy: -38.841
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.146
local terms energy: -68.242098
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -89.406407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406407 (E_RNA)
where:
Base-Base interactions energy: -39.846
where: short stacking energy: -27.717
Base-Backbone interact. energy: 0.163
local terms energy: -49.723240
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -78.618070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.618070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.618070 (E_RNA)
where:
Base-Base interactions energy: -37.647
where: short stacking energy: -28.922
Base-Backbone interact. energy: -0.189
local terms energy: -40.781712
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -3.376
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: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -243.348977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.348977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.348977 (E_RNA)
where:
Base-Base interactions energy: -157.990
where: short stacking energy: -66.391
Base-Backbone interact. energy: -0.224
local terms energy: -85.134841
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -206.893817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.893817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.893817 (E_RNA)
where:
Base-Base interactions energy: -128.771
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.137
local terms energy: -77.985080
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -223.624948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.624948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.624948 (E_RNA)
where:
Base-Base interactions energy: -146.245
where: short stacking energy: -60.897
Base-Backbone interact. energy: 0.590
local terms energy: -77.970827
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -13.274
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: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -189.166530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.166530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.166530 (E_RNA)
where:
Base-Base interactions energy: -116.090
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.068
local terms energy: -73.008945
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -191.960025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.960025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.960025 (E_RNA)
where:
Base-Base interactions energy: -114.413
where: short stacking energy: -71.316
Base-Backbone interact. energy: 0.696
local terms energy: -78.243580
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -106.342123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.342123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.342123 (E_RNA)
where:
Base-Base interactions energy: -40.133
where: short stacking energy: -40.133
Base-Backbone interact. energy: -0.075
local terms energy: -66.133744
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -101.503723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.503723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.503723 (E_RNA)
where:
Base-Base interactions energy: -45.865
where: short stacking energy: -34.615
Base-Backbone interact. energy: 0.138
local terms energy: -55.776977
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -8.185
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: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -97.094199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.094199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.094199 (E_RNA)
where:
Base-Base interactions energy: -35.509
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.235
local terms energy: -61.350263
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -95.869860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.869860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.869860 (E_RNA)
where:
Base-Base interactions energy: -44.324
where: short stacking energy: -39.963
Base-Backbone interact. energy: -0.223
local terms energy: -51.323142
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -75.898704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.898704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.898704 (E_RNA)
where:
Base-Base interactions energy: -20.994
where: short stacking energy: -20.994
Base-Backbone interact. energy: -0.143
local terms energy: -54.761657
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -243.418056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.418056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.418056 (E_RNA)
where:
Base-Base interactions energy: -165.974
where: short stacking energy: -69.381
Base-Backbone interact. energy: -0.511
local terms energy: -76.933022
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -205.579956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.579956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.579956 (E_RNA)
where:
Base-Base interactions energy: -125.696
where: short stacking energy: -65.244
Base-Backbone interact. energy: 0.047
local terms energy: -79.931063
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -206.314829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.314829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.314829 (E_RNA)
where:
Base-Base interactions energy: -128.126
where: short stacking energy: -65.651
Base-Backbone interact. energy: -0.010
local terms energy: -78.179400
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -12.610
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: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -227.731482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.731482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.731482 (E_RNA)
where:
Base-Base interactions energy: -158.283
where: short stacking energy: -60.429
Base-Backbone interact. energy: 2.568
local terms energy: -72.016799
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -171.416995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.416995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.416995 (E_RNA)
where:
Base-Base interactions energy: -103.764
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.019
local terms energy: -67.633566
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -140.141614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.141614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.141614 (E_RNA)
where:
Base-Base interactions energy: -72.453
where: short stacking energy: -41.703
Base-Backbone interact. energy: 0.392
local terms energy: -68.080501
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -13.255
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: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -98.678337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.678337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.678337 (E_RNA)
where:
Base-Base interactions energy: -39.275
where: short stacking energy: -35.422
Base-Backbone interact. energy: -0.260
local terms energy: -59.143340
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -12.682
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: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -94.358020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.358020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.358020 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -34.326
Base-Backbone interact. energy: -0.060
local terms energy: -57.330114
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -95.470715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.470715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.470715 (E_RNA)
where:
Base-Base interactions energy: -39.971
where: short stacking energy: -30.263
Base-Backbone interact. energy: -0.031
local terms energy: -55.468131
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -81.428746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.428746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.428746 (E_RNA)
where:
Base-Base interactions energy: -29.133
where: short stacking energy: -19.419
Base-Backbone interact. energy: -0.033
local terms energy: -52.262743
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -6.501
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: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -232.741454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.741454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.741454 (E_RNA)
where:
Base-Base interactions energy: -154.153
where: short stacking energy: -75.171
Base-Backbone interact. energy: -0.019
local terms energy: -78.569016
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.785
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: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -218.860199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.860199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.860199 (E_RNA)
where:
Base-Base interactions energy: -146.959
where: short stacking energy: -71.959
Base-Backbone interact. energy: -0.135
local terms energy: -71.766723
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -10.410
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: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -203.594639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.594639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.594639 (E_RNA)
where:
Base-Base interactions energy: -135.970
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.022
local terms energy: -67.602699
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -11.065
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -213.291094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.291094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.291094 (E_RNA)
where:
Base-Base interactions energy: -144.919
where: short stacking energy: -50.961
Base-Backbone interact. energy: -0.199
local terms energy: -68.172542
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -192.366261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.366261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.366261 (E_RNA)
where:
Base-Base interactions energy: -122.022
where: short stacking energy: -62.635
Base-Backbone interact. energy: -0.192
local terms energy: -70.152972
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -176.278752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.278752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.278752 (E_RNA)
where:
Base-Base interactions energy: -113.100
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.111
local terms energy: -63.067830
where:
bonds (distance) C4'-P energy: -5.692
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -104.219612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.219612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.219612 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.852
local terms energy: -60.536659
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -88.949204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.949204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.949204 (E_RNA)
where:
Base-Base interactions energy: -33.602
where: short stacking energy: -21.067
Base-Backbone interact. energy: -0.208
local terms energy: -55.138734
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -98.489494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.489494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.489494 (E_RNA)
where:
Base-Base interactions energy: -45.623
where: short stacking energy: -33.990
Base-Backbone interact. energy: -0.409
local terms energy: -52.457515
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -89.707766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.707766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.707766 (E_RNA)
where:
Base-Base interactions energy: -43.408
where: short stacking energy: -16.648
Base-Backbone interact. energy: 0.949
local terms energy: -47.248713
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: 3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -250.203050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.203050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.203050 (E_RNA)
where:
Base-Base interactions energy: -166.771
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.331
local terms energy: -83.100945
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -227.250209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.250209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.250209 (E_RNA)
where:
Base-Base interactions energy: -140.994
where: short stacking energy: -62.717
Base-Backbone interact. energy: -0.769
local terms energy: -85.487790
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -224.379255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.379255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379255 (E_RNA)
where:
Base-Base interactions energy: -158.430
where: short stacking energy: -63.114
Base-Backbone interact. energy: -0.014
local terms energy: -65.935674
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -8.776
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: 60
Temperature: 1.050000
Total energy: -197.495448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.495448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.495448 (E_RNA)
where:
Base-Base interactions energy: -127.329
where: short stacking energy: -71.075
Base-Backbone interact. energy: -0.027
local terms energy: -70.139300
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -193.607715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.607715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.607715 (E_RNA)
where:
Base-Base interactions energy: -115.780
where: short stacking energy: -63.571
Base-Backbone interact. energy: -0.002
local terms energy: -77.825650
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -190.321833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.321833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.321833 (E_RNA)
where:
Base-Base interactions energy: -129.170
where: short stacking energy: -46.188
Base-Backbone interact. energy: 0.421
local terms energy: -61.573043
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -8.149
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -9.723
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: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -108.942835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.942835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.942835 (E_RNA)
where:
Base-Base interactions energy: -48.916
where: short stacking energy: -30.091
Base-Backbone interact. energy: -0.040
local terms energy: -59.986481
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -5.037
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: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -110.893714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.893714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.893714 (E_RNA)
where:
Base-Base interactions energy: -51.087
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.320
local terms energy: -59.486470
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -9.715
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: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -86.340266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.340266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.340266 (E_RNA)
where:
Base-Base interactions energy: -26.225
where: short stacking energy: -26.725
Base-Backbone interact. energy: -0.115
local terms energy: -60.000474
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -81.897644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897644 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.593
local terms energy: -47.637718
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -239.366259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.366259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.366259 (E_RNA)
where:
Base-Base interactions energy: -159.336
where: short stacking energy: -68.260
Base-Backbone interact. energy: -0.555
local terms energy: -79.475260
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -249.526189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.526189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.526189 (E_RNA)
where:
Base-Base interactions energy: -173.370
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.287
local terms energy: -75.869050
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -214.442974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.442974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.442974 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -64.883
Base-Backbone interact. energy: -0.615
local terms energy: -78.611387
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -192.196838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.196838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.196838 (E_RNA)
where:
Base-Base interactions energy: -127.639
where: short stacking energy: -56.807
Base-Backbone interact. energy: 0.295
local terms energy: -64.853304
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -9.613
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: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -194.211868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.211868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.211868 (E_RNA)
where:
Base-Base interactions energy: -118.844
where: short stacking energy: -67.464
Base-Backbone interact. energy: -0.017
local terms energy: -75.350950
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -200.137428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.137428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.137428 (E_RNA)
where:
Base-Base interactions energy: -136.157
where: short stacking energy: -47.979
Base-Backbone interact. energy: -0.877
local terms energy: -63.104082
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -93.876529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.876529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.876529 (E_RNA)
where:
Base-Base interactions energy: -35.761
where: short stacking energy: -27.739
Base-Backbone interact. energy: -1.215
local terms energy: -56.900073
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -103.280805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.280805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.280805 (E_RNA)
where:
Base-Base interactions energy: -39.429
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.195
local terms energy: -63.656609
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -84.556249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.556249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.556249 (E_RNA)
where:
Base-Base interactions energy: -32.124
where: short stacking energy: -27.518
Base-Backbone interact. energy: 0.190
local terms energy: -52.621487
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -4.194
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: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -75.592535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.592535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.592535 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -30.361
Base-Backbone interact. energy: 0.585
local terms energy: -41.789776
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: 1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -253.591380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.591380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.591380 (E_RNA)
where:
Base-Base interactions energy: -180.980
where: short stacking energy: -68.076
Base-Backbone interact. energy: -0.409
local terms energy: -72.202622
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -16.689
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: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -239.943014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.943014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.943014 (E_RNA)
where:
Base-Base interactions energy: -161.645
where: short stacking energy: -69.507
Base-Backbone interact. energy: -0.389
local terms energy: -77.908489
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -8.517
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: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -217.307731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.307731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.307731 (E_RNA)
where:
Base-Base interactions energy: -134.772
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.579
local terms energy: -81.956835
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -194.409935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.409935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.409935 (E_RNA)
where:
Base-Base interactions energy: -117.623
where: short stacking energy: -64.132
Base-Backbone interact. energy: -0.648
local terms energy: -76.139010
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -186.754020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.754020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.754020 (E_RNA)
where:
Base-Base interactions energy: -111.925
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.000
local terms energy: -74.829016
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -187.420889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.420889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.420889 (E_RNA)
where:
Base-Base interactions energy: -112.814
where: short stacking energy: -54.532
Base-Backbone interact. energy: -0.053
local terms energy: -74.553809
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -14.741
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: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -103.570710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.570710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.570710 (E_RNA)
where:
Base-Base interactions energy: -39.540
where: short stacking energy: -39.540
Base-Backbone interact. energy: -0.085
local terms energy: -63.945800
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -12.607
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: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -94.063284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.063284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.063284 (E_RNA)
where:
Base-Base interactions energy: -39.276
where: short stacking energy: -38.605
Base-Backbone interact. energy: -0.160
local terms energy: -54.627892
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -81.751831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.751831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.751831 (E_RNA)
where:
Base-Base interactions energy: -32.039
where: short stacking energy: -15.717
Base-Backbone interact. energy: -0.487
local terms energy: -49.226096
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: 3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.598775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.598775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.598775 (E_RNA)
where:
Base-Base interactions energy: -21.442
where: short stacking energy: -21.415
Base-Backbone interact. energy: -0.202
local terms energy: -58.954820
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -12.238
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: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -242.713346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.713346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.713346 (E_RNA)
where:
Base-Base interactions energy: -166.420
where: short stacking energy: -65.593
Base-Backbone interact. energy: -0.268
local terms energy: -76.025136
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -242.324037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.324037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.324037 (E_RNA)
where:
Base-Base interactions energy: -166.530
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.215
local terms energy: -75.579015
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -12.060
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: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -203.287307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.287307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.287307 (E_RNA)
where:
Base-Base interactions energy: -122.342
where: short stacking energy: -60.022
Base-Backbone interact. energy: -0.043
local terms energy: -80.902806
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -12.794
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: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -203.175440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.175440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.175440 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -68.951
Base-Backbone interact. energy: -0.740
local terms energy: -78.298798
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -11.874
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: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -185.528406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.528406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.528406 (E_RNA)
where:
Base-Base interactions energy: -111.422
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.439
local terms energy: -73.667217
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -89.601654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.601654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.601654 (E_RNA)
where:
Base-Base interactions energy: -36.176
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.169
local terms energy: -53.256974
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -0.661
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: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -177.258943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.258943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.258943 (E_RNA)
where:
Base-Base interactions energy: -110.241
where: short stacking energy: -62.044
Base-Backbone interact. energy: -0.030
local terms energy: -66.988174
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -112.885000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.885000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.885000 (E_RNA)
where:
Base-Base interactions energy: -49.508
where: short stacking energy: -34.215
Base-Backbone interact. energy: -0.023
local terms energy: -63.353897
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -11.867
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: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -86.152622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.152622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.152622 (E_RNA)
where:
Base-Base interactions energy: -28.836
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.150
local terms energy: -57.166682
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -80.302274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.302274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.302274 (E_RNA)
where:
Base-Base interactions energy: -34.256
where: short stacking energy: -28.929
Base-Backbone interact. energy: -0.467
local terms energy: -45.579562
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -248.042672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.042672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.042672 (E_RNA)
where:
Base-Base interactions energy: -169.558
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.160
local terms energy: -78.324029
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -11.095
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: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -229.769001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.769001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.769001 (E_RNA)
where:
Base-Base interactions energy: -152.902
where: short stacking energy: -48.174
Base-Backbone interact. energy: -1.815
local terms energy: -75.051648
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -221.033372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.033372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.033372 (E_RNA)
where:
Base-Base interactions energy: -135.727
where: short stacking energy: -79.747
Base-Backbone interact. energy: -0.039
local terms energy: -85.267593
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -24.702
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: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -194.907834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.907834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.907834 (E_RNA)
where:
Base-Base interactions energy: -122.266
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.173
local terms energy: -72.468115
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -195.084484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.084484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.084484 (E_RNA)
where:
Base-Base interactions energy: -116.337
where: short stacking energy: -65.067
Base-Backbone interact. energy: -0.100
local terms energy: -78.647291
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -99.224847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.224847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.224847 (E_RNA)
where:
Base-Base interactions energy: -42.335
where: short stacking energy: -32.476
Base-Backbone interact. energy: 0.580
local terms energy: -57.470298
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -13.251
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: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -168.274844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.274844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.274844 (E_RNA)
where:
Base-Base interactions energy: -104.201
where: short stacking energy: -40.848
Base-Backbone interact. energy: -0.450
local terms energy: -63.623691
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -12.101
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: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -93.431685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.431685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.431685 (E_RNA)
where:
Base-Base interactions energy: -39.611
where: short stacking energy: -29.755
Base-Backbone interact. energy: -0.295
local terms energy: -53.525723
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -4.608
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -7.269
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: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -83.911263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.911263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.911263 (E_RNA)
where:
Base-Base interactions energy: -24.158
where: short stacking energy: -18.833
Base-Backbone interact. energy: -0.156
local terms energy: -59.597318
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -78.945917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.945917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.945917 (E_RNA)
where:
Base-Base interactions energy: -33.499
where: short stacking energy: -32.584
Base-Backbone interact. energy: -0.132
local terms energy: -45.314727
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -246.827957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.827957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.827957 (E_RNA)
where:
Base-Base interactions energy: -170.673
where: short stacking energy: -76.456
Base-Backbone interact. energy: -0.089
local terms energy: -76.065616
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -245.882023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.882023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.882023 (E_RNA)
where:
Base-Base interactions energy: -167.707
where: short stacking energy: -60.411
Base-Backbone interact. energy: -1.202
local terms energy: -76.972562
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -210.252188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.252188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.252188 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -56.713
Base-Backbone interact. energy: 0.058
local terms energy: -72.688298
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -13.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -215.408328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.408328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.408328 (E_RNA)
where:
Base-Base interactions energy: -135.728
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.013
local terms energy: -79.668017
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -174.307907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.307907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.307907 (E_RNA)
where:
Base-Base interactions energy: -93.540
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.984
local terms energy: -79.783323
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -179.196130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.196130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.196130 (E_RNA)
where:
Base-Base interactions energy: -115.721
where: short stacking energy: -55.697
Base-Backbone interact. energy: -0.344
local terms energy: -63.130695
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -99.003981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.003981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.003981 (E_RNA)
where:
Base-Base interactions energy: -41.005
where: short stacking energy: -36.458
Base-Backbone interact. energy: -0.178
local terms energy: -57.820629
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -107.300877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.300877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.300877 (E_RNA)
where:
Base-Base interactions energy: -44.545
where: short stacking energy: -42.493
Base-Backbone interact. energy: -1.326
local terms energy: -61.430111
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -9.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -82.820041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.820041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.820041 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -26.102
Base-Backbone interact. energy: -0.085
local terms energy: -55.227990
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -78.704947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.704947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.704947 (E_RNA)
where:
Base-Base interactions energy: -23.096
where: short stacking energy: -19.398
Base-Backbone interact. energy: -0.155
local terms energy: -55.454296
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -7.857
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: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -239.461467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.461467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.461467 (E_RNA)
where:
Base-Base interactions energy: -165.481
where: short stacking energy: -59.120
Base-Backbone interact. energy: -1.743
local terms energy: -72.238042
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -240.853783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.853783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.853783 (E_RNA)
where:
Base-Base interactions energy: -161.688
where: short stacking energy: -73.673
Base-Backbone interact. energy: -0.462
local terms energy: -78.703686
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -202.765121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.765121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.765121 (E_RNA)
where:
Base-Base interactions energy: -129.485
where: short stacking energy: -66.459
Base-Backbone interact. energy: -0.564
local terms energy: -72.715536
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -191.305429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.305429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.305429 (E_RNA)
where:
Base-Base interactions energy: -124.108
where: short stacking energy: -54.056
Base-Backbone interact. energy: -0.461
local terms energy: -66.736061
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -189.504922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.504922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.504922 (E_RNA)
where:
Base-Base interactions energy: -121.253
where: short stacking energy: -55.963
Base-Backbone interact. energy: -0.743
local terms energy: -67.508492
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -182.802860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.802860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.802860 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -45.558
Base-Backbone interact. energy: -0.036
local terms energy: -66.713905
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -95.610421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.610421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.610421 (E_RNA)
where:
Base-Base interactions energy: -38.062
where: short stacking energy: -37.629
Base-Backbone interact. energy: -0.261
local terms energy: -57.287004
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -95.451979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.451979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.451979 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -39.194
Base-Backbone interact. energy: 1.873
local terms energy: -55.859028
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -97.972724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.972724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.972724 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.081
local terms energy: -58.353296
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -10.247
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: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -87.607119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.607119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.607119 (E_RNA)
where:
Base-Base interactions energy: -32.556
where: short stacking energy: -32.827
Base-Backbone interact. energy: 1.016
local terms energy: -56.067164
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -246.738619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.738619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.738619 (E_RNA)
where:
Base-Base interactions energy: -173.543
where: short stacking energy: -53.929
Base-Backbone interact. energy: -1.367
local terms energy: -71.828549
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -13.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -243.866942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.866942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.866942 (E_RNA)
where:
Base-Base interactions energy: -162.345
where: short stacking energy: -69.121
Base-Backbone interact. energy: -0.444
local terms energy: -81.077306
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -209.409789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.409789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.409789 (E_RNA)
where:
Base-Base interactions energy: -127.874
where: short stacking energy: -73.371
Base-Backbone interact. energy: -0.014
local terms energy: -81.521353
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -7.532
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: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -167.653880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.653880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.653880 (E_RNA)
where:
Base-Base interactions energy: -91.731
where: short stacking energy: -49.094
Base-Backbone interact. energy: -0.025
local terms energy: -75.898332
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -191.699173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.699173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.699173 (E_RNA)
where:
Base-Base interactions energy: -125.984
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.089
local terms energy: -65.626797
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -174.398677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.398677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.398677 (E_RNA)
where:
Base-Base interactions energy: -110.527
where: short stacking energy: -44.804
Base-Backbone interact. energy: -0.017
local terms energy: -63.854835
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -104.236806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.236806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.236806 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -38.261
Base-Backbone interact. energy: -0.198
local terms energy: -59.129242
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -6.701
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: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -95.867177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.867177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.867177 (E_RNA)
where:
Base-Base interactions energy: -53.332
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.049
local terms energy: -42.485301
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -9.110
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -2.489
tors. eta vs tors. theta energy: -4.315
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: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -88.911686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.911686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.911686 (E_RNA)
where:
Base-Base interactions energy: -31.785
where: short stacking energy: -31.515
Base-Backbone interact. energy: -0.217
local terms energy: -56.909566
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -92.520751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.520751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.520751 (E_RNA)
where:
Base-Base interactions energy: -34.462
where: short stacking energy: -33.012
Base-Backbone interact. energy: 0.826
local terms energy: -58.884687
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -2.489
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: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -245.270346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.270346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.270346 (E_RNA)
where:
Base-Base interactions energy: -171.424
where: short stacking energy: -63.170
Base-Backbone interact. energy: 0.790
local terms energy: -74.636467
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -228.879399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.879399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.879399 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -58.379
Base-Backbone interact. energy: -1.173
local terms energy: -79.179208
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -217.261991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.261991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.261991 (E_RNA)
where:
Base-Base interactions energy: -131.543
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.017
local terms energy: -85.701813
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.891
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -170.015401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.015401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.015401 (E_RNA)
where:
Base-Base interactions energy: -100.745
where: short stacking energy: -53.776
Base-Backbone interact. energy: -0.099
local terms energy: -69.171640
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -187.631356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.631356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.631356 (E_RNA)
where:
Base-Base interactions energy: -130.676
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.887
local terms energy: -56.067764
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -11.688
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: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -174.151772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.151772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.151772 (E_RNA)
where:
Base-Base interactions energy: -100.953
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.079
local terms energy: -73.119903
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -12.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -99.341600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.341600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.341600 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -37.530
Base-Backbone interact. energy: -0.052
local terms energy: -57.454966
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -7.583
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: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -103.792936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.792936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.792936 (E_RNA)
where:
Base-Base interactions energy: -49.089
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.261
local terms energy: -54.442915
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -92.738015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.738015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.738015 (E_RNA)
where:
Base-Base interactions energy: -33.503
where: short stacking energy: -31.805
Base-Backbone interact. energy: -0.276
local terms energy: -58.959836
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -91.145453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.145453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.145453 (E_RNA)
where:
Base-Base interactions energy: -31.086
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.002
local terms energy: -60.056728
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -248.404515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.404515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.404515 (E_RNA)
where:
Base-Base interactions energy: -170.547
where: short stacking energy: -73.521
Base-Backbone interact. energy: -0.352
local terms energy: -77.505934
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -222.820481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.820481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.820481 (E_RNA)
where:
Base-Base interactions energy: -152.940
where: short stacking energy: -64.031
Base-Backbone interact. energy: -0.550
local terms energy: -69.330323
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -7.151
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: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -216.039351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.039351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.039351 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -64.548
Base-Backbone interact. energy: -0.953
local terms energy: -79.307642
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -186.419904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.419904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.419904 (E_RNA)
where:
Base-Base interactions energy: -116.942
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.012
local terms energy: -69.465571
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -10.019
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: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -172.657066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.657066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.657066 (E_RNA)
where:
Base-Base interactions energy: -105.121
where: short stacking energy: -50.518
Base-Backbone interact. energy: -0.301
local terms energy: -67.235179
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -167.107213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.107213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.107213 (E_RNA)
where:
Base-Base interactions energy: -111.124
where: short stacking energy: -52.303
Base-Backbone interact. energy: -0.174
local terms energy: -55.808836
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -4.526
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -105.688814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.688814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.688814 (E_RNA)
where:
Base-Base interactions energy: -51.390
where: short stacking energy: -33.261
Base-Backbone interact. energy: 1.587
local terms energy: -55.885704
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -79.601190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.601190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.601190 (E_RNA)
where:
Base-Base interactions energy: -24.746
where: short stacking energy: -23.215
Base-Backbone interact. energy: 0.960
local terms energy: -55.815199
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: 1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -88.457921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.457921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.457921 (E_RNA)
where:
Base-Base interactions energy: -36.330
where: short stacking energy: -34.275
Base-Backbone interact. energy: -0.299
local terms energy: -51.828923
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -3.307
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: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -91.993135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.993135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.993135 (E_RNA)
where:
Base-Base interactions energy: -40.879
where: short stacking energy: -21.734
Base-Backbone interact. energy: -0.324
local terms energy: -50.789773
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -244.705757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.705757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.705757 (E_RNA)
where:
Base-Base interactions energy: -168.306
where: short stacking energy: -70.579
Base-Backbone interact. energy: -0.256
local terms energy: -76.143728
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -231.183788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.183788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.183788 (E_RNA)
where:
Base-Base interactions energy: -160.473
where: short stacking energy: -68.112
Base-Backbone interact. energy: -1.461
local terms energy: -69.249938
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -207.002909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.002909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.002909 (E_RNA)
where:
Base-Base interactions energy: -129.070
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.060
local terms energy: -77.872584
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -213.934366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.934366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.934366 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.164
local terms energy: -81.407865
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -22.685
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: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -165.983535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.983535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.983535 (E_RNA)
where:
Base-Base interactions energy: -112.326
where: short stacking energy: -47.366
Base-Backbone interact. energy: 0.322
local terms energy: -53.979666
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -169.004089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.004089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.004089 (E_RNA)
where:
Base-Base interactions energy: -103.331
where: short stacking energy: -51.815
Base-Backbone interact. energy: -0.043
local terms energy: -65.629909
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.668
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: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -100.868327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.868327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.868327 (E_RNA)
where:
Base-Base interactions energy: -37.552
where: short stacking energy: -37.552
Base-Backbone interact. energy: -0.072
local terms energy: -63.243574
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -92.516845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.516845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.516845 (E_RNA)
where:
Base-Base interactions energy: -36.526
where: short stacking energy: -32.753
Base-Backbone interact. energy: -0.973
local terms energy: -55.018502
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -7.823
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -89.249863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249863 (E_RNA)
where:
Base-Base interactions energy: -35.904
where: short stacking energy: -35.172
Base-Backbone interact. energy: -0.251
local terms energy: -53.094648
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -0.833
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: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -82.236185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.236185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.236185 (E_RNA)
where:
Base-Base interactions energy: -30.865
where: short stacking energy: -30.865
Base-Backbone interact. energy: -0.184
local terms energy: -51.186872
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -234.719983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.719983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.719983 (E_RNA)
where:
Base-Base interactions energy: -158.226
where: short stacking energy: -62.951
Base-Backbone interact. energy: 0.421
local terms energy: -76.915034
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -225.935226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.935226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.935226 (E_RNA)
where:
Base-Base interactions energy: -154.963
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.107
local terms energy: -70.865245
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -225.632053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.632053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.632053 (E_RNA)
where:
Base-Base interactions energy: -135.583
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.825
local terms energy: -89.224022
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -216.742600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.742600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.742600 (E_RNA)
where:
Base-Base interactions energy: -146.979
where: short stacking energy: -68.272
Base-Backbone interact. energy: 0.213
local terms energy: -69.976189
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -191.742712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.742712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.742712 (E_RNA)
where:
Base-Base interactions energy: -115.671
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.871
local terms energy: -75.201274
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -159.421176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.421176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.421176 (E_RNA)
where:
Base-Base interactions energy: -103.537
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.164
local terms energy: -55.720050
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -7.740
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: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -102.391863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.391863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.391863 (E_RNA)
where:
Base-Base interactions energy: -42.174
where: short stacking energy: -42.174
Base-Backbone interact. energy: -0.202
local terms energy: -60.015731
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -4.451
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: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -94.207311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.207311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.207311 (E_RNA)
where:
Base-Base interactions energy: -34.559
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.161
local terms energy: -59.487461
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -6.781
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: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -89.569101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.569101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.569101 (E_RNA)
where:
Base-Base interactions energy: -31.367
where: short stacking energy: -29.167
Base-Backbone interact. energy: -0.218
local terms energy: -57.984688
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -82.161034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.161034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.161034 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.301
local terms energy: -47.619111
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -15.443
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: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -234.785371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.785371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.785371 (E_RNA)
where:
Base-Base interactions energy: -160.572
where: short stacking energy: -69.891
Base-Backbone interact. energy: -0.432
local terms energy: -73.780684
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -243.278860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.278860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.278860 (E_RNA)
where:
Base-Base interactions energy: -165.179
where: short stacking energy: -66.173
Base-Backbone interact. energy: -1.194
local terms energy: -76.905856
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -221.241629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.241629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.241629 (E_RNA)
where:
Base-Base interactions energy: -146.556
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.222
local terms energy: -74.462909
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -18.743
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: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -210.261744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.261744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.261744 (E_RNA)
where:
Base-Base interactions energy: -134.585
where: short stacking energy: -73.396
Base-Backbone interact. energy: -0.047
local terms energy: -75.629242
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -153.109108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.109108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.109108 (E_RNA)
where:
Base-Base interactions energy: -86.726
where: short stacking energy: -46.581
Base-Backbone interact. energy: -0.444
local terms energy: -65.938872
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -10.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -164.898369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.898369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.898369 (E_RNA)
where:
Base-Base interactions energy: -93.819
where: short stacking energy: -45.538
Base-Backbone interact. energy: 0.189
local terms energy: -71.268943
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -15.017
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: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -97.525286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.525286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.525286 (E_RNA)
where:
Base-Base interactions energy: -51.382
where: short stacking energy: -38.296
Base-Backbone interact. energy: -0.202
local terms energy: -45.941424
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -85.485757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.485757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.485757 (E_RNA)
where:
Base-Base interactions energy: -29.782
where: short stacking energy: -22.340
Base-Backbone interact. energy: 0.661
local terms energy: -56.364856
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -91.938027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.938027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.938027 (E_RNA)
where:
Base-Base interactions energy: -38.294
where: short stacking energy: -35.656
Base-Backbone interact. energy: -0.230
local terms energy: -53.414026
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -8.269
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -102.610131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.610131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.610131 (E_RNA)
where:
Base-Base interactions energy: -41.352
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.029
local terms energy: -61.229042
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -230.882069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.882069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.882069 (E_RNA)
where:
Base-Base interactions energy: -151.610
where: short stacking energy: -77.001
Base-Backbone interact. energy: 1.202
local terms energy: -80.473770
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -238.711380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.711380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.711380 (E_RNA)
where:
Base-Base interactions energy: -168.460
where: short stacking energy: -66.246
Base-Backbone interact. energy: -0.706
local terms energy: -69.545500
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -198.261112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.261112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.261112 (E_RNA)
where:
Base-Base interactions energy: -123.562
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.052
local terms energy: -74.646920
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -11.204
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: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -211.458178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.458178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.458178 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -72.783
Base-Backbone interact. energy: -0.000
local terms energy: -77.817139
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -153.310847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.310847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.310847 (E_RNA)
where:
Base-Base interactions energy: -99.496
where: short stacking energy: -48.858
Base-Backbone interact. energy: -0.285
local terms energy: -53.529631
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -183.262657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.262657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.262657 (E_RNA)
where:
Base-Base interactions energy: -126.303
where: short stacking energy: -68.038
Base-Backbone interact. energy: -0.940
local terms energy: -56.019723
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -7.238
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -94.851740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.851740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.851740 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.206
local terms energy: -63.253448
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -86.085111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.085111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.085111 (E_RNA)
where:
Base-Base interactions energy: -33.769
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.408
local terms energy: -51.908209
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -87.067765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067765 (E_RNA)
where:
Base-Base interactions energy: -35.918
where: short stacking energy: -29.496
Base-Backbone interact. energy: 0.122
local terms energy: -51.270900
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -0.373
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: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -85.318493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.318493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.318493 (E_RNA)
where:
Base-Base interactions energy: -36.574
where: short stacking energy: -28.679
Base-Backbone interact. energy: -0.270
local terms energy: -48.474682
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -2.612
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: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -247.284431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.284431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.284431 (E_RNA)
where:
Base-Base interactions energy: -166.149
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.278
local terms energy: -80.857312
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -232.240641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.240641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.240641 (E_RNA)
where:
Base-Base interactions energy: -174.875
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.109
local terms energy: -57.257007
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -214.706351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.706351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.706351 (E_RNA)
where:
Base-Base interactions energy: -135.167
where: short stacking energy: -71.590
Base-Backbone interact. energy: -0.083
local terms energy: -79.456544
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -204.508852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.508852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.508852 (E_RNA)
where:
Base-Base interactions energy: -133.275
where: short stacking energy: -62.729
Base-Backbone interact. energy: -0.003
local terms energy: -71.230549
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -6.518
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: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -169.024733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.024733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.024733 (E_RNA)
where:
Base-Base interactions energy: -103.079
where: short stacking energy: -38.924
Base-Backbone interact. energy: -0.068
local terms energy: -65.877411
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -12.646
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: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -167.564013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.564013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.564013 (E_RNA)
where:
Base-Base interactions energy: -97.406
where: short stacking energy: -55.199
Base-Backbone interact. energy: -0.037
local terms energy: -70.121278
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -14.737
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: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -98.150841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.150841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.150841 (E_RNA)
where:
Base-Base interactions energy: -42.053
where: short stacking energy: -41.011
Base-Backbone interact. energy: -0.365
local terms energy: -55.733175
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -109.153461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.153461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.153461 (E_RNA)
where:
Base-Base interactions energy: -47.406
where: short stacking energy: -38.168
Base-Backbone interact. energy: -0.060
local terms energy: -61.687433
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -94.077617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.077617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.077617 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.197
local terms energy: -58.657331
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -90.199562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.199562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.199562 (E_RNA)
where:
Base-Base interactions energy: -45.250
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.219
local terms energy: -44.730482
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -3.417
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: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -252.040614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.040614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.040614 (E_RNA)
where:
Base-Base interactions energy: -175.103
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.221
local terms energy: -76.716517
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -249.634827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.634827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.634827 (E_RNA)
where:
Base-Base interactions energy: -171.711
where: short stacking energy: -72.720
Base-Backbone interact. energy: -0.189
local terms energy: -77.734561
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -217.416442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.416442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.416442 (E_RNA)
where:
Base-Base interactions energy: -133.773
where: short stacking energy: -77.193
Base-Backbone interact. energy: -0.778
local terms energy: -82.865501
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -194.202454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.202454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.202454 (E_RNA)
where:
Base-Base interactions energy: -118.763
where: short stacking energy: -65.522
Base-Backbone interact. energy: -0.040
local terms energy: -75.399166
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -13.378
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: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -206.063421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.063421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.063421 (E_RNA)
where:
Base-Base interactions energy: -127.241
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.013
local terms energy: -78.809954
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -145.938446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.938446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.938446 (E_RNA)
where:
Base-Base interactions energy: -77.954
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.480
local terms energy: -67.504394
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -100.288551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.288551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.288551 (E_RNA)
where:
Base-Base interactions energy: -37.818
where: short stacking energy: -34.997
Base-Backbone interact. energy: 0.533
local terms energy: -63.003542
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -131.058737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.058737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.058737 (E_RNA)
where:
Base-Base interactions energy: -76.539
where: short stacking energy: -38.822
Base-Backbone interact. energy: 0.694
local terms energy: -55.213150
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -82.687214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.687214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.687214 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -32.205
Base-Backbone interact. energy: -0.119
local terms energy: -44.509390
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: 1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -83.933623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.933623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.933623 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -24.539
Base-Backbone interact. energy: -0.218
local terms energy: -52.682963
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: 1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -255.197345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.197345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.197345 (E_RNA)
where:
Base-Base interactions energy: -176.201
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.034
local terms energy: -78.961710
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -19.083
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: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -239.848473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.848473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.848473 (E_RNA)
where:
Base-Base interactions energy: -161.409
where: short stacking energy: -68.282
Base-Backbone interact. energy: -0.340
local terms energy: -78.099849
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -209.012352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.012352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.012352 (E_RNA)
where:
Base-Base interactions energy: -132.353
where: short stacking energy: -72.935
Base-Backbone interact. energy: -0.168
local terms energy: -76.491218
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -199.170401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.170401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.170401 (E_RNA)
where:
Base-Base interactions energy: -123.155
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.005
local terms energy: -76.009635
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -211.787981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.787981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.787981 (E_RNA)
where:
Base-Base interactions energy: -138.985
where: short stacking energy: -66.823
Base-Backbone interact. energy: -0.287
local terms energy: -72.516536
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -160.576855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.576855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.576855 (E_RNA)
where:
Base-Base interactions energy: -88.573
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.018
local terms energy: -71.985408
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -9.198
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: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -137.184157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.184157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.184157 (E_RNA)
where:
Base-Base interactions energy: -80.477
where: short stacking energy: -38.819
Base-Backbone interact. energy: -0.131
local terms energy: -56.575895
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -94.683796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.683796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.683796 (E_RNA)
where:
Base-Base interactions energy: -37.475
where: short stacking energy: -36.730
Base-Backbone interact. energy: -0.060
local terms energy: -57.148697
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -147.506758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.506758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.506758 (E_RNA)
where:
Base-Base interactions energy: -85.547
where: short stacking energy: -42.925
Base-Backbone interact. energy: -0.095
local terms energy: -61.864339
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -83.768170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.768170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.768170 (E_RNA)
where:
Base-Base interactions energy: -34.680
where: short stacking energy: -27.042
Base-Backbone interact. energy: -0.075
local terms energy: -49.013109
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -254.451645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.451645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.451645 (E_RNA)
where:
Base-Base interactions energy: -178.014
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.132
local terms energy: -76.305887
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -11.116
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: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -242.507809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.507809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.507809 (E_RNA)
where:
Base-Base interactions energy: -162.052
where: short stacking energy: -74.003
Base-Backbone interact. energy: -0.356
local terms energy: -80.099473
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -221.395133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.395133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.395133 (E_RNA)
where:
Base-Base interactions energy: -138.394
where: short stacking energy: -82.913
Base-Backbone interact. energy: -0.626
local terms energy: -82.375190
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -216.680326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.680326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.680326 (E_RNA)
where:
Base-Base interactions energy: -138.137
where: short stacking energy: -70.386
Base-Backbone interact. energy: -0.487
local terms energy: -78.056654
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -204.806164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.806164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.806164 (E_RNA)
where:
Base-Base interactions energy: -128.523
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.254
local terms energy: -76.028852
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -155.594842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.594842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.594842 (E_RNA)
where:
Base-Base interactions energy: -83.238
where: short stacking energy: -47.557
Base-Backbone interact. energy: -0.018
local terms energy: -72.339432
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -11.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -175.441941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.441941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.441941 (E_RNA)
where:
Base-Base interactions energy: -112.422
where: short stacking energy: -47.776
Base-Backbone interact. energy: -1.029
local terms energy: -61.990476
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -14.577
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: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -159.422478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.422478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.422478 (E_RNA)
where:
Base-Base interactions energy: -94.075
where: short stacking energy: -57.931
Base-Backbone interact. energy: 1.496
local terms energy: -66.843738
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.443
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: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -83.643380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.643380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.643380 (E_RNA)
where:
Base-Base interactions energy: -34.384
where: short stacking energy: -34.384
Base-Backbone interact. energy: -0.224
local terms energy: -49.034784
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -99.350170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.350170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.350170 (E_RNA)
where:
Base-Base interactions energy: -38.474
where: short stacking energy: -38.442
Base-Backbone interact. energy: -0.286
local terms energy: -60.589531
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -254.689072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.689072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.689072 (E_RNA)
where:
Base-Base interactions energy: -178.922
where: short stacking energy: -63.885
Base-Backbone interact. energy: -0.684
local terms energy: -75.083002
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -10.442
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: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -246.328064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.328064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.328064 (E_RNA)
where:
Base-Base interactions energy: -166.807
where: short stacking energy: -70.960
Base-Backbone interact. energy: -1.186
local terms energy: -78.334952
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -202.198146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.198146 (E_RNA)
where:
Base-Base interactions energy: -121.383
where: short stacking energy: -58.687
Base-Backbone interact. energy: -0.005
local terms energy: -80.810515
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -210.452384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.452384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.452384 (E_RNA)
where:
Base-Base interactions energy: -127.515
where: short stacking energy: -64.021
Base-Backbone interact. energy: -1.438
local terms energy: -81.498590
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -218.840415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.840415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.840415 (E_RNA)
where:
Base-Base interactions energy: -136.441
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.178
local terms energy: -82.220960
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -145.549587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.549587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.549587 (E_RNA)
where:
Base-Base interactions energy: -83.559
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.072
local terms energy: -61.919015
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -160.643669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.643669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.643669 (E_RNA)
where:
Base-Base interactions energy: -101.910
where: short stacking energy: -48.765
Base-Backbone interact. energy: -0.200
local terms energy: -58.534294
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -12.149
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: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -102.673821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.673821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.673821 (E_RNA)
where:
Base-Base interactions energy: -49.746
where: short stacking energy: -35.848
Base-Backbone interact. energy: -0.538
local terms energy: -52.389924
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -7.558
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: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -89.338532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.338532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.338532 (E_RNA)
where:
Base-Base interactions energy: -40.010
where: short stacking energy: -28.291
Base-Backbone interact. energy: 0.560
local terms energy: -49.887657
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -78.574534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.574534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.574534 (E_RNA)
where:
Base-Base interactions energy: -30.085
where: short stacking energy: -29.296
Base-Backbone interact. energy: -0.249
local terms energy: -48.240845
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -1.146
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -255.843723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.843723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.843723 (E_RNA)
where:
Base-Base interactions energy: -185.874
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.442
local terms energy: -69.527296
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -241.408654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.408654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.408654 (E_RNA)
where:
Base-Base interactions energy: -159.615
where: short stacking energy: -63.820
Base-Backbone interact. energy: 0.021
local terms energy: -81.814981
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -197.689813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.689813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.689813 (E_RNA)
where:
Base-Base interactions energy: -125.504
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.127
local terms energy: -72.058450
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -197.304084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.304084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.304084 (E_RNA)
where:
Base-Base interactions energy: -123.273
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.225
local terms energy: -73.806183
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -168.869751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.869751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.869751 (E_RNA)
where:
Base-Base interactions energy: -98.115
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.098
local terms energy: -70.657006
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -161.526216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.526216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.526216 (E_RNA)
where:
Base-Base interactions energy: -89.317
where: short stacking energy: -46.936
Base-Backbone interact. energy: -0.307
local terms energy: -71.902260
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -13.186
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: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -146.203386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.203386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.203386 (E_RNA)
where:
Base-Base interactions energy: -84.358
where: short stacking energy: -43.429
Base-Backbone interact. energy: -0.245
local terms energy: -61.600580
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -96.281054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.281054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.281054 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -36.968
Base-Backbone interact. energy: -0.294
local terms energy: -54.182690
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -82.563549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.563549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.563549 (E_RNA)
where:
Base-Base interactions energy: -23.429
where: short stacking energy: -22.978
Base-Backbone interact. energy: -0.033
local terms energy: -59.101594
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -7.714
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: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -87.787762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.787762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.787762 (E_RNA)
where:
Base-Base interactions energy: -33.041
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.277
local terms energy: -54.469993
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -261.703934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.703934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.703934 (E_RNA)
where:
Base-Base interactions energy: -184.537
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.159
local terms energy: -77.008333
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -232.891541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.891541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.891541 (E_RNA)
where:
Base-Base interactions energy: -164.489
where: short stacking energy: -68.794
Base-Backbone interact. energy: -0.270
local terms energy: -68.132504
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -230.074473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.074473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.074473 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -78.414
Base-Backbone interact. energy: 0.072
local terms energy: -87.269113
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -180.554576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.554576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.554576 (E_RNA)
where:
Base-Base interactions energy: -100.863
where: short stacking energy: -45.549
Base-Backbone interact. energy: -0.860
local terms energy: -78.831928
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -187.309349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.309349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.309349 (E_RNA)
where:
Base-Base interactions energy: -114.428
where: short stacking energy: -53.539
Base-Backbone interact. energy: -0.041
local terms energy: -72.840360
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -194.643070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.643070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.643070 (E_RNA)
where:
Base-Base interactions energy: -117.488
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.006
local terms energy: -77.148792
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -12.738
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: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -122.137539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.137539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.137539 (E_RNA)
where:
Base-Base interactions energy: -61.690
where: short stacking energy: -28.828
Base-Backbone interact. energy: -0.679
local terms energy: -59.768109
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -89.985407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.985407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.985407 (E_RNA)
where:
Base-Base interactions energy: -37.644
where: short stacking energy: -37.364
Base-Backbone interact. energy: -0.042
local terms energy: -52.298964
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -86.327890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327890 (E_RNA)
where:
Base-Base interactions energy: -27.986
where: short stacking energy: -21.865
Base-Backbone interact. energy: -0.155
local terms energy: -58.187240
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -78.984452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.984452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.984452 (E_RNA)
where:
Base-Base interactions energy: -33.350
where: short stacking energy: -21.479
Base-Backbone interact. energy: -0.504
local terms energy: -45.130872
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: 0.598
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: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -257.503116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.503116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.503116 (E_RNA)
where:
Base-Base interactions energy: -182.194
where: short stacking energy: -63.067
Base-Backbone interact. energy: 0.277
local terms energy: -75.586710
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -228.477266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477266 (E_RNA)
where:
Base-Base interactions energy: -142.969
where: short stacking energy: -83.187
Base-Backbone interact. energy: -1.130
local terms energy: -84.377574
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -24.656
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: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -234.273865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.273865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.273865 (E_RNA)
where:
Base-Base interactions energy: -162.605
where: short stacking energy: -76.216
Base-Backbone interact. energy: -0.207
local terms energy: -71.462268
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -15.877
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: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -189.892587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.892587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.892587 (E_RNA)
where:
Base-Base interactions energy: -109.614
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.384
local terms energy: -79.894583
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -181.176026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.176026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.176026 (E_RNA)
where:
Base-Base interactions energy: -105.190
where: short stacking energy: -57.570
Base-Backbone interact. energy: -0.106
local terms energy: -75.879736
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -8.182
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: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -199.859527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.859527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.859527 (E_RNA)
where:
Base-Base interactions energy: -118.525
where: short stacking energy: -65.139
Base-Backbone interact. energy: -0.583
local terms energy: -80.751759
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -16.362
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: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -109.928479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.928479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.928479 (E_RNA)
where:
Base-Base interactions energy: -54.096
where: short stacking energy: -27.715
Base-Backbone interact. energy: -0.588
local terms energy: -55.244875
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -10.165
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: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -92.342582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342582 (E_RNA)
where:
Base-Base interactions energy: -38.879
where: short stacking energy: -29.507
Base-Backbone interact. energy: -0.126
local terms energy: -53.337141
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -82.194688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.194688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.194688 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -34.653
Base-Backbone interact. energy: -0.031
local terms energy: -45.192488
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -79.098826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.098826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.098826 (E_RNA)
where:
Base-Base interactions energy: -23.719
where: short stacking energy: -20.989
Base-Backbone interact. energy: -0.161
local terms energy: -55.218525
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: 2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -254.525897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.525897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.525897 (E_RNA)
where:
Base-Base interactions energy: -184.741
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.135
local terms energy: -69.649831
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -211.605364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.605364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.605364 (E_RNA)
where:
Base-Base interactions energy: -127.725
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.562
local terms energy: -83.317648
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -235.580502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.580502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.580502 (E_RNA)
where:
Base-Base interactions energy: -165.604
where: short stacking energy: -66.258
Base-Backbone interact. energy: -0.384
local terms energy: -69.592558
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -209.983637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.983637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.983637 (E_RNA)
where:
Base-Base interactions energy: -133.268
where: short stacking energy: -63.591
Base-Backbone interact. energy: -1.290
local terms energy: -75.425529
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -190.721149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.721149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.721149 (E_RNA)
where:
Base-Base interactions energy: -116.182
where: short stacking energy: -66.149
Base-Backbone interact. energy: -0.001
local terms energy: -74.538170
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -178.441835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.441835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.441835 (E_RNA)
where:
Base-Base interactions energy: -114.635
where: short stacking energy: -57.366
Base-Backbone interact. energy: -0.044
local terms energy: -63.763366
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -101.976156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.976156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.976156 (E_RNA)
where:
Base-Base interactions energy: -39.273
where: short stacking energy: -22.110
Base-Backbone interact. energy: 0.100
local terms energy: -62.803475
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -93.879539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.879539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.879539 (E_RNA)
where:
Base-Base interactions energy: -40.000
where: short stacking energy: -35.864
Base-Backbone interact. energy: -0.048
local terms energy: -53.831222
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -3.305
tors. eta vs tors. theta energy: -8.510
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: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -84.377595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.377595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.377595 (E_RNA)
where:
Base-Base interactions energy: -31.164
where: short stacking energy: -31.270
Base-Backbone interact. energy: -0.517
local terms energy: -52.696753
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -8.476
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: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -98.524709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.524709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.524709 (E_RNA)
where:
Base-Base interactions energy: -49.202
where: short stacking energy: -32.710
Base-Backbone interact. energy: -0.499
local terms energy: -48.824086
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -10.867
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: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -258.092006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.092006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.092006 (E_RNA)
where:
Base-Base interactions energy: -185.273
where: short stacking energy: -56.476
Base-Backbone interact. energy: -0.093
local terms energy: -72.726449
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -242.245407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.245407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.245407 (E_RNA)
where:
Base-Base interactions energy: -170.007
where: short stacking energy: -77.335
Base-Backbone interact. energy: -0.743
local terms energy: -71.495300
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -16.341
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: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -213.544788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.544788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.544788 (E_RNA)
where:
Base-Base interactions energy: -139.493
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.334
local terms energy: -73.717153
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -211.396504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.396504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.396504 (E_RNA)
where:
Base-Base interactions energy: -130.413
where: short stacking energy: -67.223
Base-Backbone interact. energy: -0.104
local terms energy: -80.879971
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -199.125755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.125755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.125755 (E_RNA)
where:
Base-Base interactions energy: -126.163
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.546
local terms energy: -72.417473
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -14.506
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: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -181.028436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.028436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.028436 (E_RNA)
where:
Base-Base interactions energy: -108.734
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.008
local terms energy: -72.286505
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -114.037429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.037429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.037429 (E_RNA)
where:
Base-Base interactions energy: -47.631
where: short stacking energy: -37.225
Base-Backbone interact. energy: -0.055
local terms energy: -66.351211
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -7.919
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -92.574262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.574262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.574262 (E_RNA)
where:
Base-Base interactions energy: -40.659
where: short stacking energy: -36.348
Base-Backbone interact. energy: -0.250
local terms energy: -51.665613
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.655
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: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -89.292171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.292171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.292171 (E_RNA)
where:
Base-Base interactions energy: -39.857
where: short stacking energy: -35.697
Base-Backbone interact. energy: -0.179
local terms energy: -49.256036
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -80.905389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.905389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.905389 (E_RNA)
where:
Base-Base interactions energy: -24.817
where: short stacking energy: -25.671
Base-Backbone interact. energy: 0.175
local terms energy: -56.263671
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -249.875108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.875108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.875108 (E_RNA)
where:
Base-Base interactions energy: -170.401
where: short stacking energy: -63.813
Base-Backbone interact. energy: -0.432
local terms energy: -79.042354
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -9.646
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: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -257.976164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.976164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.976164 (E_RNA)
where:
Base-Base interactions energy: -184.415
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.146
local terms energy: -73.414883
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -14.010
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: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -219.371025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.371025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.371025 (E_RNA)
where:
Base-Base interactions energy: -137.311
where: short stacking energy: -77.230
Base-Backbone interact. energy: -0.552
local terms energy: -81.507800
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -25.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -178.297580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.297580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.297580 (E_RNA)
where:
Base-Base interactions energy: -104.807
where: short stacking energy: -55.048
Base-Backbone interact. energy: -0.004
local terms energy: -73.486171
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -17.588
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: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -185.516656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.516656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.516656 (E_RNA)
where:
Base-Base interactions energy: -118.155
where: short stacking energy: -62.673
Base-Backbone interact. energy: -0.333
local terms energy: -67.028913
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -165.764807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.764807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.764807 (E_RNA)
where:
Base-Base interactions energy: -100.332
where: short stacking energy: -49.979
Base-Backbone interact. energy: 0.232
local terms energy: -65.665428
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -94.949429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.949429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.949429 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.232
local terms energy: -59.072925
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -5.910
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: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -95.247234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247234 (E_RNA)
where:
Base-Base interactions energy: -34.255
where: short stacking energy: -30.499
Base-Backbone interact. energy: 0.568
local terms energy: -61.559928
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -96.252552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.252552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.252552 (E_RNA)
where:
Base-Base interactions energy: -34.256
where: short stacking energy: -34.256
Base-Backbone interact. energy: -1.630
local terms energy: -60.367144
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -6.705
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: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -86.831033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.831033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.831033 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.122
local terms energy: -48.060139
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: 1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -248.165486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.165486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.165486 (E_RNA)
where:
Base-Base interactions energy: -162.747
where: short stacking energy: -68.857
Base-Backbone interact. energy: -0.089
local terms energy: -85.328957
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -259.603024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.603024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.603024 (E_RNA)
where:
Base-Base interactions energy: -185.762
where: short stacking energy: -60.658
Base-Backbone interact. energy: -0.551
local terms energy: -73.289674
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -13.930
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: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -225.328165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.328165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.328165 (E_RNA)
where:
Base-Base interactions energy: -139.957
where: short stacking energy: -77.317
Base-Backbone interact. energy: -0.015
local terms energy: -85.356457
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -183.370409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.370409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.370409 (E_RNA)
where:
Base-Base interactions energy: -105.973
where: short stacking energy: -67.201
Base-Backbone interact. energy: 1.054
local terms energy: -78.451427
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -182.728989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.728989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.728989 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -62.040
Base-Backbone interact. energy: -0.515
local terms energy: -67.731320
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -163.218558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.218558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.218558 (E_RNA)
where:
Base-Base interactions energy: -98.349
where: short stacking energy: -47.692
Base-Backbone interact. energy: -0.095
local terms energy: -64.774573
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -119.841953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.841953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.841953 (E_RNA)
where:
Base-Base interactions energy: -54.744
where: short stacking energy: -45.149
Base-Backbone interact. energy: -0.634
local terms energy: -64.463727
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -105.432658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.432658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.432658 (E_RNA)
where:
Base-Base interactions energy: -50.395
where: short stacking energy: -27.672
Base-Backbone interact. energy: -0.382
local terms energy: -54.655088
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -8.194
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: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -83.975697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.975697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.975697 (E_RNA)
where:
Base-Base interactions energy: -30.994
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.854
local terms energy: -52.128003
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -81.222060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.222060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.222060 (E_RNA)
where:
Base-Base interactions energy: -28.940
where: short stacking energy: -28.754
Base-Backbone interact. energy: 0.667
local terms energy: -52.949677
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -263.782871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.782871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.782871 (E_RNA)
where:
Base-Base interactions energy: -183.585
where: short stacking energy: -63.345
Base-Backbone interact. energy: -0.301
local terms energy: -79.895950
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -13.843
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: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -239.171117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.171117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.171117 (E_RNA)
where:
Base-Base interactions energy: -167.417
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.930
local terms energy: -70.824143
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -11.568
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: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -205.238586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.238586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.238586 (E_RNA)
where:
Base-Base interactions energy: -124.314
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.135
local terms energy: -80.789136
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -175.214368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.214368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.214368 (E_RNA)
where:
Base-Base interactions energy: -105.570
where: short stacking energy: -55.903
Base-Backbone interact. energy: -0.148
local terms energy: -69.496699
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -182.417441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.417441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.417441 (E_RNA)
where:
Base-Base interactions energy: -113.119
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.031
local terms energy: -69.266949
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -9.759
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: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -159.851353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.851353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.851353 (E_RNA)
where:
Base-Base interactions energy: -94.154
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.100
local terms energy: -65.596728
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -96.232488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.232488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.232488 (E_RNA)
where:
Base-Base interactions energy: -42.265
where: short stacking energy: -40.354
Base-Backbone interact. energy: -0.144
local terms energy: -53.823331
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -92.523236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.523236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.523236 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -31.873
Base-Backbone interact. energy: -0.026
local terms energy: -60.595898
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -86.215998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.215998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.215998 (E_RNA)
where:
Base-Base interactions energy: -33.813
where: short stacking energy: -33.813
Base-Backbone interact. energy: -0.007
local terms energy: -52.396303
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -10.163
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: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -84.351299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.351299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.351299 (E_RNA)
where:
Base-Base interactions energy: -32.643
where: short stacking energy: -30.857
Base-Backbone interact. energy: -0.105
local terms energy: -51.603339
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -8.371
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: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -249.294614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.294614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.294614 (E_RNA)
where:
Base-Base interactions energy: -176.612
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.477
local terms energy: -72.206173
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -7.101
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: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -243.845749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.845749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.845749 (E_RNA)
where:
Base-Base interactions energy: -172.004
where: short stacking energy: -69.715
Base-Backbone interact. energy: -0.196
local terms energy: -71.644935
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -10.537
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: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -221.285405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.285405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.285405 (E_RNA)
where:
Base-Base interactions energy: -134.902
where: short stacking energy: -77.629
Base-Backbone interact. energy: -1.026
local terms energy: -85.358144
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -24.544
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: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -188.792695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.792695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.792695 (E_RNA)
where:
Base-Base interactions energy: -124.309
where: short stacking energy: -66.981
Base-Backbone interact. energy: -0.522
local terms energy: -63.961747
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -182.292949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.292949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.292949 (E_RNA)
where:
Base-Base interactions energy: -113.490
where: short stacking energy: -48.928
Base-Backbone interact. energy: -0.151
local terms energy: -68.652148
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -108.715283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.715283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.715283 (E_RNA)
where:
Base-Base interactions energy: -49.306
where: short stacking energy: -39.400
Base-Backbone interact. energy: 0.074
local terms energy: -59.482714
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -107.987019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.987019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.987019 (E_RNA)
where:
Base-Base interactions energy: -45.345
where: short stacking energy: -39.480
Base-Backbone interact. energy: -0.271
local terms energy: -62.371261
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.779
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: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -94.090869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.090869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.090869 (E_RNA)
where:
Base-Base interactions energy: -39.591
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.336
local terms energy: -54.163473
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -90.293435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.293435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.293435 (E_RNA)
where:
Base-Base interactions energy: -35.114
where: short stacking energy: -35.114
Base-Backbone interact. energy: -0.045
local terms energy: -55.134750
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -82.445313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.445313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.445313 (E_RNA)
where:
Base-Base interactions energy: -28.138
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.459
local terms energy: -53.848417
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -254.602370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.602370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.602370 (E_RNA)
where:
Base-Base interactions energy: -183.890
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.270
local terms energy: -70.442604
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -15.073
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: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -232.373402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.373402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.373402 (E_RNA)
where:
Base-Base interactions energy: -156.227
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.352
local terms energy: -75.794195
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -12.516
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: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -219.655641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.655641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.655641 (E_RNA)
where:
Base-Base interactions energy: -141.568
where: short stacking energy: -74.423
Base-Backbone interact. energy: -0.874
local terms energy: -77.213702
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -8.350
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: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -219.382751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.382751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.382751 (E_RNA)
where:
Base-Base interactions energy: -144.059
where: short stacking energy: -66.408
Base-Backbone interact. energy: -2.296
local terms energy: -73.028273
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -8.993
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: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -171.408299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.408299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.408299 (E_RNA)
where:
Base-Base interactions energy: -99.964
where: short stacking energy: -38.100
Base-Backbone interact. energy: -0.420
local terms energy: -71.024092
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -115.983523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.983523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.983523 (E_RNA)
where:
Base-Base interactions energy: -42.299
where: short stacking energy: -40.524
Base-Backbone interact. energy: -0.052
local terms energy: -73.632731
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -10.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -96.679750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.679750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.679750 (E_RNA)
where:
Base-Base interactions energy: -44.933
where: short stacking energy: -42.814
Base-Backbone interact. energy: -0.268
local terms energy: -51.478776
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -5.117
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: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -96.093831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.093831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.093831 (E_RNA)
where:
Base-Base interactions energy: -44.002
where: short stacking energy: -32.998
Base-Backbone interact. energy: -0.140
local terms energy: -51.951200
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -90.965479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.965479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.965479 (E_RNA)
where:
Base-Base interactions energy: -38.856
where: short stacking energy: -31.171
Base-Backbone interact. energy: -0.396
local terms energy: -51.713952
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: 0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -88.003870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.003870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.003870 (E_RNA)
where:
Base-Base interactions energy: -31.934
where: short stacking energy: -22.473
Base-Backbone interact. energy: -0.140
local terms energy: -55.930514
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -256.844637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.844637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.844637 (E_RNA)
where:
Base-Base interactions energy: -175.383
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.663
local terms energy: -80.799076
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -225.709677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.709677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.709677 (E_RNA)
where:
Base-Base interactions energy: -140.588
where: short stacking energy: -79.326
Base-Backbone interact. energy: 0.225
local terms energy: -85.346412
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -24.308
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: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -236.324525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.324525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.324525 (E_RNA)
where:
Base-Base interactions energy: -165.963
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.119
local terms energy: -70.242199
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -223.049918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.049918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.049918 (E_RNA)
where:
Base-Base interactions energy: -144.356
where: short stacking energy: -66.798
Base-Backbone interact. energy: -0.922
local terms energy: -77.771057
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -190.767093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.767093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.767093 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.515
local terms energy: -72.741113
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -105.330910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.330910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.330910 (E_RNA)
where:
Base-Base interactions energy: -45.102
where: short stacking energy: -45.079
Base-Backbone interact. energy: -0.081
local terms energy: -60.147665
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -6.181
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -95.357531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.357531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.357531 (E_RNA)
where:
Base-Base interactions energy: -36.620
where: short stacking energy: -35.550
Base-Backbone interact. energy: -0.314
local terms energy: -58.423295
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -8.596
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: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -97.336976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.336976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.336976 (E_RNA)
where:
Base-Base interactions energy: -46.387
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.054
local terms energy: -50.895509
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -8.719
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -76.227998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.227998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.227998 (E_RNA)
where:
Base-Base interactions energy: -33.986
where: short stacking energy: -21.367
Base-Backbone interact. energy: 0.710
local terms energy: -42.951380
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: 4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -86.161789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.161789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.161789 (E_RNA)
where:
Base-Base interactions energy: -29.577
where: short stacking energy: -27.254
Base-Backbone interact. energy: 0.428
local terms energy: -57.013205
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -7.441
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: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -260.348121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.348121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.348121 (E_RNA)
where:
Base-Base interactions energy: -182.736
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.550
local terms energy: -77.062413
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -11.637
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: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -221.302064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.302064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.302064 (E_RNA)
where:
Base-Base interactions energy: -144.297
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.266
local terms energy: -76.738479
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -200.204989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.204989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.204989 (E_RNA)
where:
Base-Base interactions energy: -135.060
where: short stacking energy: -55.724
Base-Backbone interact. energy: 0.277
local terms energy: -65.422190
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -238.070443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.070443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.070443 (E_RNA)
where:
Base-Base interactions energy: -171.658
where: short stacking energy: -55.435
Base-Backbone interact. energy: -1.530
local terms energy: -64.882360
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -13.387
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: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -199.578414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.578414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.578414 (E_RNA)
where:
Base-Base interactions energy: -123.212
where: short stacking energy: -62.214
Base-Backbone interact. energy: -0.057
local terms energy: -76.310267
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.398
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: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -101.798933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.798933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.798933 (E_RNA)
where:
Base-Base interactions energy: -36.242
where: short stacking energy: -36.242
Base-Backbone interact. energy: -0.122
local terms energy: -65.434861
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -94.597781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.597781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.597781 (E_RNA)
where:
Base-Base interactions energy: -34.752
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.164
local terms energy: -59.681427
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -88.463463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.463463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.463463 (E_RNA)
where:
Base-Base interactions energy: -40.734
where: short stacking energy: -24.056
Base-Backbone interact. energy: -0.106
local terms energy: -47.623697
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: 4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -118.782229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.782229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.782229 (E_RNA)
where:
Base-Base interactions energy: -65.636
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.783
local terms energy: -52.363064
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -6.822
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -82.980198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.980198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.980198 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -28.960
Base-Backbone interact. energy: -0.214
local terms energy: -52.676251
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -255.220851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.220851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.220851 (E_RNA)
where:
Base-Base interactions energy: -182.371
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.726
local terms energy: -72.124180
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -13.343
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: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -221.835267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.835267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.835267 (E_RNA)
where:
Base-Base interactions energy: -138.345
where: short stacking energy: -65.776
Base-Backbone interact. energy: -1.583
local terms energy: -81.906847
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -212.250079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.250079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.250079 (E_RNA)
where:
Base-Base interactions energy: -135.978
where: short stacking energy: -59.577
Base-Backbone interact. energy: -0.131
local terms energy: -76.141431
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -230.802331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.802331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.802331 (E_RNA)
where:
Base-Base interactions energy: -169.238
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.356
local terms energy: -61.208204
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -188.216662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.216662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.216662 (E_RNA)
where:
Base-Base interactions energy: -115.729
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.568
local terms energy: -71.919418
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -102.881764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.881764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.881764 (E_RNA)
where:
Base-Base interactions energy: -43.872
where: short stacking energy: -43.872
Base-Backbone interact. energy: -0.019
local terms energy: -58.990651
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -93.045135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.045135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.045135 (E_RNA)
where:
Base-Base interactions energy: -27.061
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.010
local terms energy: -65.973590
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -7.896
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: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -96.027533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.027533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.027533 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -29.914
Base-Backbone interact. energy: -0.185
local terms energy: -62.504282
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -9.275
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: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -146.318296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.318296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.318296 (E_RNA)
where:
Base-Base interactions energy: -87.754
where: short stacking energy: -40.668
Base-Backbone interact. energy: -0.210
local terms energy: -58.354759
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -8.310
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: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -88.199931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199931 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -29.171
Base-Backbone interact. energy: -0.111
local terms energy: -58.917385
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -235.002032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.002032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.002032 (E_RNA)
where:
Base-Base interactions energy: -154.474
where: short stacking energy: -69.545
Base-Backbone interact. energy: -0.739
local terms energy: -79.788282
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -254.242534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.242534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.242534 (E_RNA)
where:
Base-Base interactions energy: -181.410
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.463
local terms energy: -72.368966
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -230.181698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.181698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.181698 (E_RNA)
where:
Base-Base interactions energy: -164.814
where: short stacking energy: -52.866
Base-Backbone interact. energy: -0.637
local terms energy: -64.731041
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -198.374500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.374500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.374500 (E_RNA)
where:
Base-Base interactions energy: -127.104
where: short stacking energy: -68.397
Base-Backbone interact. energy: -0.588
local terms energy: -70.682832
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -18.090
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -178.574311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.574311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.574311 (E_RNA)
where:
Base-Base interactions energy: -110.377
where: short stacking energy: -45.787
Base-Backbone interact. energy: -0.203
local terms energy: -67.994065
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -108.588783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.588783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.588783 (E_RNA)
where:
Base-Base interactions energy: -50.225
where: short stacking energy: -38.716
Base-Backbone interact. energy: -0.020
local terms energy: -58.344420
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -92.675251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.675251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.675251 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.205
local terms energy: -60.692322
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -7.572
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: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -106.119910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.119910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.119910 (E_RNA)
where:
Base-Base interactions energy: -51.107
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.439
local terms energy: -54.573500
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -6.965
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -137.180036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.180036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.180036 (E_RNA)
where:
Base-Base interactions energy: -85.046
where: short stacking energy: -37.634
Base-Backbone interact. energy: -1.165
local terms energy: -50.968973
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -85.472096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.472096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.472096 (E_RNA)
where:
Base-Base interactions energy: -42.157
where: short stacking energy: -28.078
Base-Backbone interact. energy: -0.343
local terms energy: -42.972430
where:
bonds (distance) C4'-P energy: -6.450
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -234.583067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.583067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.583067 (E_RNA)
where:
Base-Base interactions energy: -149.445
where: short stacking energy: -73.578
Base-Backbone interact. energy: -1.681
local terms energy: -83.457351
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -14.363
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: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -256.148280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.148280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.148280 (E_RNA)
where:
Base-Base interactions energy: -185.472
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.300
local terms energy: -70.377008
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -231.694842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.694842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.694842 (E_RNA)
where:
Base-Base interactions energy: -162.079
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.498
local terms energy: -69.118032
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -184.203844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.203844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.203844 (E_RNA)
where:
Base-Base interactions energy: -110.805
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.755
local terms energy: -72.644207
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -14.909
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: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -203.358244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.358244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.358244 (E_RNA)
where:
Base-Base interactions energy: -119.955
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.273
local terms energy: -83.130989
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -113.003468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.003468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.003468 (E_RNA)
where:
Base-Base interactions energy: -55.486
where: short stacking energy: -36.541
Base-Backbone interact. energy: -0.086
local terms energy: -57.430945
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -102.114867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.114867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.114867 (E_RNA)
where:
Base-Base interactions energy: -54.556
where: short stacking energy: -23.589
Base-Backbone interact. energy: -0.360
local terms energy: -47.198608
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: 2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -152.135324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.135324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.135324 (E_RNA)
where:
Base-Base interactions energy: -96.096
where: short stacking energy: -56.612
Base-Backbone interact. energy: -0.006
local terms energy: -56.033238
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -3.401
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: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -88.512644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.512644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.512644 (E_RNA)
where:
Base-Base interactions energy: -37.858
where: short stacking energy: -37.498
Base-Backbone interact. energy: -0.280
local terms energy: -50.374104
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -74.317571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.317571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.317571 (E_RNA)
where:
Base-Base interactions energy: -30.952
where: short stacking energy: -26.925
Base-Backbone interact. energy: -0.554
local terms energy: -42.811443
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: 2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -257.972336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.972336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.972336 (E_RNA)
where:
Base-Base interactions energy: -181.235
where: short stacking energy: -65.557
Base-Backbone interact. energy: -0.142
local terms energy: -76.595394
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -232.043769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.043769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.043769 (E_RNA)
where:
Base-Base interactions energy: -150.461
where: short stacking energy: -70.317
Base-Backbone interact. energy: -0.368
local terms energy: -81.215123
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -231.121935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.121935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.121935 (E_RNA)
where:
Base-Base interactions energy: -155.315
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.900
local terms energy: -74.906661
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -192.188649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.188649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.188649 (E_RNA)
where:
Base-Base interactions energy: -124.037
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.680
local terms energy: -67.471803
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -204.629210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.629210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.629210 (E_RNA)
where:
Base-Base interactions energy: -125.622
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.726
local terms energy: -78.281211
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -19.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -111.205590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.205590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.205590 (E_RNA)
where:
Base-Base interactions energy: -51.643
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.049
local terms energy: -59.513335
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -5.609
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: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -153.747760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.747760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.747760 (E_RNA)
where:
Base-Base interactions energy: -90.898
where: short stacking energy: -39.115
Base-Backbone interact. energy: -0.261
local terms energy: -62.588094
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -90.395318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.395318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.395318 (E_RNA)
where:
Base-Base interactions energy: -37.930
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.132
local terms energy: -52.333373
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -81.618280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.618280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.618280 (E_RNA)
where:
Base-Base interactions energy: -26.265
where: short stacking energy: -18.890
Base-Backbone interact. energy: -0.248
local terms energy: -55.105153
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -89.587241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.587241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.587241 (E_RNA)
where:
Base-Base interactions energy: -40.149
where: short stacking energy: -34.443
Base-Backbone interact. energy: -0.300
local terms energy: -49.138223
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -263.767468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.767468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.767468 (E_RNA)
where:
Base-Base interactions energy: -187.550
where: short stacking energy: -62.282
Base-Backbone interact. energy: -0.397
local terms energy: -75.820754
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -246.267171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.267171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.267171 (E_RNA)
where:
Base-Base interactions energy: -174.133
where: short stacking energy: -71.458
Base-Backbone interact. energy: -0.252
local terms energy: -71.882651
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -219.057570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.057570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.057570 (E_RNA)
where:
Base-Base interactions energy: -149.623
where: short stacking energy: -68.241
Base-Backbone interact. energy: 1.135
local terms energy: -70.570168
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -204.729165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.729165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.729165 (E_RNA)
where:
Base-Base interactions energy: -125.215
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.160
local terms energy: -79.354789
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -20.053
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: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -202.440820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.440820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.440820 (E_RNA)
where:
Base-Base interactions energy: -126.358
where: short stacking energy: -63.623
Base-Backbone interact. energy: -1.485
local terms energy: -74.597523
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -10.176
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: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -161.024755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.024755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.024755 (E_RNA)
where:
Base-Base interactions energy: -96.551
where: short stacking energy: -51.426
Base-Backbone interact. energy: -0.308
local terms energy: -64.166682
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -14.263
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: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -99.262457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.262457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.262457 (E_RNA)
where:
Base-Base interactions energy: -52.374
where: short stacking energy: -39.662
Base-Backbone interact. energy: -0.570
local terms energy: -46.318989
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -1.931
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: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -96.392438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.392438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.392438 (E_RNA)
where:
Base-Base interactions energy: -32.009
where: short stacking energy: -27.101
Base-Backbone interact. energy: 0.235
local terms energy: -64.618834
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -87.291994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.291994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.291994 (E_RNA)
where:
Base-Base interactions energy: -31.018
where: short stacking energy: -30.507
Base-Backbone interact. energy: -0.178
local terms energy: -56.095954
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -10.460
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: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -80.976873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.976873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.976873 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -32.081
Base-Backbone interact. energy: 3.822
local terms energy: -51.818682
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -260.736932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.736932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.736932 (E_RNA)
where:
Base-Base interactions energy: -193.303
where: short stacking energy: -63.633
Base-Backbone interact. energy: -0.340
local terms energy: -67.094054
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -231.219780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.219780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.219780 (E_RNA)
where:
Base-Base interactions energy: -163.485
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.888
local terms energy: -66.846360
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -215.665714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.665714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.665714 (E_RNA)
where:
Base-Base interactions energy: -135.555
where: short stacking energy: -72.337
Base-Backbone interact. energy: -0.054
local terms energy: -80.056466
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -9.344
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: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -215.134187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.134187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.134187 (E_RNA)
where:
Base-Base interactions energy: -134.140
where: short stacking energy: -73.077
Base-Backbone interact. energy: -0.170
local terms energy: -80.824192
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -191.199980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.199980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.199980 (E_RNA)
where:
Base-Base interactions energy: -122.808
where: short stacking energy: -54.610
Base-Backbone interact. energy: -0.590
local terms energy: -67.801964
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -180.289015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.289015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.289015 (E_RNA)
where:
Base-Base interactions energy: -113.602
where: short stacking energy: -49.646
Base-Backbone interact. energy: -0.029
local terms energy: -66.657864
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -101.573300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.573300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.573300 (E_RNA)
where:
Base-Base interactions energy: -46.932
where: short stacking energy: -33.146
Base-Backbone interact. energy: -0.274
local terms energy: -54.367634
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -110.649327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.649327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.649327 (E_RNA)
where:
Base-Base interactions energy: -47.375
where: short stacking energy: -45.017
Base-Backbone interact. energy: -0.108
local terms energy: -63.166384
where:
bonds (distance) C4'-P energy: -7.273
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -12.616
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: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -87.792454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.792454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.792454 (E_RNA)
where:
Base-Base interactions energy: -37.372
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.133
local terms energy: -50.287713
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -0.652
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: 96
Temperature: 1.350000
Total energy: -104.548653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.548653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.548653 (E_RNA)
where:
Base-Base interactions energy: -40.713
where: short stacking energy: -33.526
Base-Backbone interact. energy: -0.021
local terms energy: -63.814397
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.051
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: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -266.195931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.195931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.195931 (E_RNA)
where:
Base-Base interactions energy: -199.540
where: short stacking energy: -66.120
Base-Backbone interact. energy: -0.129
local terms energy: -66.527357
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -237.041680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.041680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.041680 (E_RNA)
where:
Base-Base interactions energy: -157.995
where: short stacking energy: -59.207
Base-Backbone interact. energy: -0.393
local terms energy: -78.653118
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -217.323507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.323507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.323507 (E_RNA)
where:
Base-Base interactions energy: -132.787
where: short stacking energy: -72.998
Base-Backbone interact. energy: 0.314
local terms energy: -84.850693
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -210.378617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.378617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.378617 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.091
local terms energy: -78.569450
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -13.580
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: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -176.033251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.033251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.033251 (E_RNA)
where:
Base-Base interactions energy: -109.155
where: short stacking energy: -53.091
Base-Backbone interact. energy: 0.123
local terms energy: -67.001247
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -183.027594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.027594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.027594 (E_RNA)
where:
Base-Base interactions energy: -106.374
where: short stacking energy: -52.542
Base-Backbone interact. energy: -0.980
local terms energy: -75.673247
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -98.343515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.343515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.343515 (E_RNA)
where:
Base-Base interactions energy: -41.252
where: short stacking energy: -27.075
Base-Backbone interact. energy: -0.658
local terms energy: -56.433277
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -5.964
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: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -92.489725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.489725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.489725 (E_RNA)
where:
Base-Base interactions energy: -35.688
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.135
local terms energy: -56.666612
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -89.237753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.237753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.237753 (E_RNA)
where:
Base-Base interactions energy: -27.802
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.051
local terms energy: -61.385170
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -71.873896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.873896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.873896 (E_RNA)
where:
Base-Base interactions energy: -24.810
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.218
local terms energy: -46.846062
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -262.123318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.123318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.123318 (E_RNA)
where:
Base-Base interactions energy: -184.494
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.203
local terms energy: -77.426464
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -16.004
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: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -237.706084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.706084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.706084 (E_RNA)
where:
Base-Base interactions energy: -160.195
where: short stacking energy: -61.382
Base-Backbone interact. energy: 0.876
local terms energy: -78.387699
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -217.026842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.026842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.026842 (E_RNA)
where:
Base-Base interactions energy: -132.512
where: short stacking energy: -70.497
Base-Backbone interact. energy: -0.465
local terms energy: -84.049684
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -206.416352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.416352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.416352 (E_RNA)
where:
Base-Base interactions energy: -134.543
where: short stacking energy: -68.591
Base-Backbone interact. energy: -0.102
local terms energy: -71.771438
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -188.028004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.028004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.028004 (E_RNA)
where:
Base-Base interactions energy: -109.964
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.199
local terms energy: -77.864700
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -17.735
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: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -167.797801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.797801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.797801 (E_RNA)
where:
Base-Base interactions energy: -95.506
where: short stacking energy: -53.781
Base-Backbone interact. energy: -0.059
local terms energy: -72.233241
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -4.965
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: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -95.496389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.496389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.496389 (E_RNA)
where:
Base-Base interactions energy: -36.427
where: short stacking energy: -36.427
Base-Backbone interact. energy: -0.560
local terms energy: -58.509861
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -7.728
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: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -99.763765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.763765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.763765 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.104
local terms energy: -63.954835
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -88.227502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.227502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.227502 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -25.611
Base-Backbone interact. energy: -0.336
local terms energy: -51.606228
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -1.968
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: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -83.515513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.515513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.515513 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -28.341
Base-Backbone interact. energy: -0.259
local terms energy: -54.915349
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -7.310
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -5.324
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: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -263.276254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.276254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.276254 (E_RNA)
where:
Base-Base interactions energy: -198.419
where: short stacking energy: -64.989
Base-Backbone interact. energy: 0.188
local terms energy: -65.044971
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -247.557593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.557593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.557593 (E_RNA)
where:
Base-Base interactions energy: -165.701
where: short stacking energy: -56.378
Base-Backbone interact. energy: -0.618
local terms energy: -81.238396
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -220.634834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.634834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.634834 (E_RNA)
where:
Base-Base interactions energy: -143.632
where: short stacking energy: -83.348
Base-Backbone interact. energy: -0.055
local terms energy: -76.947541
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -194.162979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.162979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.162979 (E_RNA)
where:
Base-Base interactions energy: -127.383
where: short stacking energy: -66.740
Base-Backbone interact. energy: -0.058
local terms energy: -66.722222
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -186.459303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.459303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.459303 (E_RNA)
where:
Base-Base interactions energy: -116.770
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.710
local terms energy: -68.979584
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -13.030
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: 99
Temperature: 1.150000
Total energy: -178.121992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.121992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.121992 (E_RNA)
where:
Base-Base interactions energy: -109.093
where: short stacking energy: -61.000
Base-Backbone interact. energy: -0.647
local terms energy: -68.381929
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -93.267363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.267363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.267363 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -33.311
Base-Backbone interact. energy: -0.301
local terms energy: -59.454662
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -88.765017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.765017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.765017 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -30.470
Base-Backbone interact. energy: -0.113
local terms energy: -57.886685
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -87.670077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.670077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.670077 (E_RNA)
where:
Base-Base interactions energy: -32.237
where: short stacking energy: -31.387
Base-Backbone interact. energy: -0.823
local terms energy: -54.610552
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -84.625033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.625033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.625033 (E_RNA)
where:
Base-Base interactions energy: -31.327
where: short stacking energy: -31.327
Base-Backbone interact. energy: -0.254
local terms energy: -53.044658
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -1.857
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: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -262.565497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.565497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.565497 (E_RNA)
where:
Base-Base interactions energy: -191.384
where: short stacking energy: -67.769
Base-Backbone interact. energy: 0.831
local terms energy: -72.012566
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -245.107208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.107208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.107208 (E_RNA)
where:
Base-Base interactions energy: -167.372
where: short stacking energy: -69.016
Base-Backbone interact. energy: -0.646
local terms energy: -77.089194
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -217.006919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.006919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.006919 (E_RNA)
where:
Base-Base interactions energy: -134.512
where: short stacking energy: -79.496
Base-Backbone interact. energy: -0.240
local terms energy: -82.254619
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -23.857
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: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -212.468310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.468310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.468310 (E_RNA)
where:
Base-Base interactions energy: -130.629
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.385
local terms energy: -81.454950
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -13.178
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: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -192.463687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.463687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.463687 (E_RNA)
where:
Base-Base interactions energy: -114.333
where: short stacking energy: -66.371
Base-Backbone interact. energy: -0.167
local terms energy: -77.963868
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -12.357
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: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -177.963293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.963293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.963293 (E_RNA)
where:
Base-Base interactions energy: -107.880
where: short stacking energy: -52.322
Base-Backbone interact. energy: -0.018
local terms energy: -70.065510
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -101.106206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.106206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.106206 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -38.803
Base-Backbone interact. energy: -0.017
local terms energy: -62.286118
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -88.854942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.854942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.854942 (E_RNA)
where:
Base-Base interactions energy: -28.699
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.108
local terms energy: -60.047809
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -6.604
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: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -87.998499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.998499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.998499 (E_RNA)
where:
Base-Base interactions energy: -34.089
where: short stacking energy: -34.089
Base-Backbone interact. energy: -0.140
local terms energy: -53.769477
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -5.298
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: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -81.609000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.609000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.609000 (E_RNA)
where:
Base-Base interactions energy: -24.768
where: short stacking energy: -23.828
Base-Backbone interact. energy: -0.066
local terms energy: -56.774142
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -259.207891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.207891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.207891 (E_RNA)
where:
Base-Base interactions energy: -187.039
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.753
local terms energy: -71.415838
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -242.980674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.980674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.980674 (E_RNA)
where:
Base-Base interactions energy: -169.893
where: short stacking energy: -69.797
Base-Backbone interact. energy: -0.690
local terms energy: -72.398150
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -12.602
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: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -219.836427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.836427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.836427 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -74.917
Base-Backbone interact. energy: -0.139
local terms energy: -82.932908
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -206.647812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.647812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.647812 (E_RNA)
where:
Base-Base interactions energy: -136.590
where: short stacking energy: -62.777
Base-Backbone interact. energy: -0.267
local terms energy: -69.790841
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -192.180689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.180689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.180689 (E_RNA)
where:
Base-Base interactions energy: -120.045
where: short stacking energy: -62.959
Base-Backbone interact. energy: -0.484
local terms energy: -71.652580
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -168.293301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.293301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.293301 (E_RNA)
where:
Base-Base interactions energy: -106.872
where: short stacking energy: -47.165
Base-Backbone interact. energy: -0.100
local terms energy: -61.321118
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -96.682223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.682223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.682223 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -37.732
Base-Backbone interact. energy: -0.069
local terms energy: -58.880656
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -89.289148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.289148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.289148 (E_RNA)
where:
Base-Base interactions energy: -34.644
where: short stacking energy: -26.399
Base-Backbone interact. energy: -0.207
local terms energy: -54.438844
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -11.954
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: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -89.918811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.918811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.918811 (E_RNA)
where:
Base-Base interactions energy: -44.166
where: short stacking energy: -18.162
Base-Backbone interact. energy: -1.441
local terms energy: -44.312313
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -87.107418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.107418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.107418 (E_RNA)
where:
Base-Base interactions energy: -34.875
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.156
local terms energy: -52.076063
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -247.705325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.705325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.705325 (E_RNA)
where:
Base-Base interactions energy: -173.582
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.095
local terms energy: -74.027830
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -244.055735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.055735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.055735 (E_RNA)
where:
Base-Base interactions energy: -176.328
where: short stacking energy: -66.514
Base-Backbone interact. energy: -0.485
local terms energy: -67.243083
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -215.900011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.900011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.900011 (E_RNA)
where:
Base-Base interactions energy: -137.453
where: short stacking energy: -74.113
Base-Backbone interact. energy: 0.334
local terms energy: -78.781580
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -22.470
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: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -191.016201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.016201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.016201 (E_RNA)
where:
Base-Base interactions energy: -119.654
where: short stacking energy: -68.452
Base-Backbone interact. energy: -0.730
local terms energy: -70.632023
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -178.522058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.522058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.522058 (E_RNA)
where:
Base-Base interactions energy: -110.318
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.281
local terms energy: -67.923594
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -12.233
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: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -170.097681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.097681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.097681 (E_RNA)
where:
Base-Base interactions energy: -111.386
where: short stacking energy: -45.660
Base-Backbone interact. energy: -1.710
local terms energy: -57.001462
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -103.565657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.565657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.565657 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -38.515
Base-Backbone interact. energy: -0.360
local terms energy: -57.599733
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -11.005
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: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -92.663354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.663354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.663354 (E_RNA)
where:
Base-Base interactions energy: -39.760
where: short stacking energy: -31.781
Base-Backbone interact. energy: -0.578
local terms energy: -52.325199
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -1.020
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: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -78.821290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.821290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.821290 (E_RNA)
where:
Base-Base interactions energy: -35.033
where: short stacking energy: -17.966
Base-Backbone interact. energy: 0.153
local terms energy: -43.942107
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: 3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -77.297971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.297971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.297971 (E_RNA)
where:
Base-Base interactions energy: -24.669
where: short stacking energy: -20.999
Base-Backbone interact. energy: -0.044
local terms energy: -52.585171
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -256.656634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.656634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.656634 (E_RNA)
where:
Base-Base interactions energy: -177.830
where: short stacking energy: -71.877
Base-Backbone interact. energy: -0.181
local terms energy: -78.646067
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -19.258
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: 103
Temperature: 0.950000
Total energy: -223.991567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.991567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.991567 (E_RNA)
where:
Base-Base interactions energy: -133.214
where: short stacking energy: -71.070
Base-Backbone interact. energy: -0.116
local terms energy: -90.661703
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -22.694
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: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -236.131146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.131146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.131146 (E_RNA)
where:
Base-Base interactions energy: -165.117
where: short stacking energy: -77.991
Base-Backbone interact. energy: -0.081
local terms energy: -70.933668
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -210.815117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.815117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.815117 (E_RNA)
where:
Base-Base interactions energy: -128.552
where: short stacking energy: -72.057
Base-Backbone interact. energy: -0.709
local terms energy: -81.554845
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -165.463073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.463073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.463073 (E_RNA)
where:
Base-Base interactions energy: -99.657
where: short stacking energy: -42.653
Base-Backbone interact. energy: -0.288
local terms energy: -65.518217
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -170.704583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.704583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.704583 (E_RNA)
where:
Base-Base interactions energy: -99.879
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.899
local terms energy: -69.927309
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -15.316
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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -91.256913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.256913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.256913 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.195
local terms energy: -49.042478
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -6.400
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: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -96.264462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.264462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.264462 (E_RNA)
where:
Base-Base interactions energy: -42.243
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.018
local terms energy: -54.004011
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -88.960753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960753 (E_RNA)
where:
Base-Base interactions energy: -35.211
where: short stacking energy: -30.609
Base-Backbone interact. energy: 0.326
local terms energy: -54.075641
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -77.305807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.305807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.305807 (E_RNA)
where:
Base-Base interactions energy: -34.410
where: short stacking energy: -31.007
Base-Backbone interact. energy: 0.371
local terms energy: -43.266726
where:
bonds (distance) C4'-P energy: -1.470
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -253.666188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.666188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.666188 (E_RNA)
where:
Base-Base interactions energy: -180.821
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.379
local terms energy: -72.466909
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -223.084592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.084592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.084592 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -76.322
Base-Backbone interact. energy: -0.164
local terms energy: -87.314312
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -236.398140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.398140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.398140 (E_RNA)
where:
Base-Base interactions energy: -162.510
where: short stacking energy: -67.721
Base-Backbone interact. energy: -1.009
local terms energy: -72.879299
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -15.734
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: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -190.520578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.520578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.520578 (E_RNA)
where:
Base-Base interactions energy: -117.462
where: short stacking energy: -62.423
Base-Backbone interact. energy: -1.453
local terms energy: -71.604966
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -187.162433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.162433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.162433 (E_RNA)
where:
Base-Base interactions energy: -118.179
where: short stacking energy: -66.906
Base-Backbone interact. energy: -1.167
local terms energy: -67.815576
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -178.372464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.372464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.372464 (E_RNA)
where:
Base-Base interactions energy: -105.352
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.083
local terms energy: -72.937605
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -96.166649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.166649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.166649 (E_RNA)
where:
Base-Base interactions energy: -32.435
where: short stacking energy: -32.435
Base-Backbone interact. energy: -0.234
local terms energy: -63.497578
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -91.473052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.473052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.473052 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -37.380
Base-Backbone interact. energy: 2.084
local terms energy: -56.061248
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -82.054684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.054684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.054684 (E_RNA)
where:
Base-Base interactions energy: -33.629
where: short stacking energy: -24.628
Base-Backbone interact. energy: -0.434
local terms energy: -47.991002
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -1.919
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: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -85.875528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.875528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.875528 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -23.687
Base-Backbone interact. energy: -2.071
local terms energy: -49.012665
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -245.158662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.158662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.158662 (E_RNA)
where:
Base-Base interactions energy: -164.147
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.280
local terms energy: -80.731041
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -243.874257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.874257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.874257 (E_RNA)
where:
Base-Base interactions energy: -165.412
where: short stacking energy: -71.124
Base-Backbone interact. energy: -0.982
local terms energy: -77.480296
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -212.583943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.583943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.583943 (E_RNA)
where:
Base-Base interactions energy: -137.953
where: short stacking energy: -72.076
Base-Backbone interact. energy: -0.094
local terms energy: -74.537113
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -187.040131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.040131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.040131 (E_RNA)
where:
Base-Base interactions energy: -118.025
where: short stacking energy: -67.786
Base-Backbone interact. energy: 0.101
local terms energy: -69.116106
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -206.815704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.815704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.815704 (E_RNA)
where:
Base-Base interactions energy: -124.720
where: short stacking energy: -63.968
Base-Backbone interact. energy: 0.021
local terms energy: -82.116835
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -16.210
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: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -148.811335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.811335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.811335 (E_RNA)
where:
Base-Base interactions energy: -94.136
where: short stacking energy: -53.888
Base-Backbone interact. energy: -0.107
local terms energy: -54.567770
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.040
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: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -105.448320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.448320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.448320 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -42.304
Base-Backbone interact. energy: -0.121
local terms energy: -61.603074
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -10.595
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: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -100.529723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.529723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.529723 (E_RNA)
where:
Base-Base interactions energy: -46.232
where: short stacking energy: -22.339
Base-Backbone interact. energy: -0.726
local terms energy: -53.571573
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -91.900833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.900833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.900833 (E_RNA)
where:
Base-Base interactions energy: -35.484
where: short stacking energy: -34.414
Base-Backbone interact. energy: -0.386
local terms energy: -56.030614
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -84.055884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.055884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.055884 (E_RNA)
where:
Base-Base interactions energy: -30.661
where: short stacking energy: -28.418
Base-Backbone interact. energy: -0.276
local terms energy: -53.119055
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -245.852601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.852601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.852601 (E_RNA)
where:
Base-Base interactions energy: -166.604
where: short stacking energy: -66.127
Base-Backbone interact. energy: -0.290
local terms energy: -78.958835
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -241.723792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.723792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.723792 (E_RNA)
where:
Base-Base interactions energy: -165.583
where: short stacking energy: -67.265
Base-Backbone interact. energy: -0.369
local terms energy: -75.771462
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -17.744
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: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -185.282608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.282608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.282608 (E_RNA)
where:
Base-Base interactions energy: -107.890
where: short stacking energy: -66.238
Base-Backbone interact. energy: 0.342
local terms energy: -77.733995
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -10.479
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: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -234.131873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.131873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.131873 (E_RNA)
where:
Base-Base interactions energy: -144.214
where: short stacking energy: -80.055
Base-Backbone interact. energy: -0.342
local terms energy: -89.575452
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -199.573697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.573697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.573697 (E_RNA)
where:
Base-Base interactions energy: -126.146
where: short stacking energy: -62.753
Base-Backbone interact. energy: -0.347
local terms energy: -73.080945
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -143.298220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.298220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.298220 (E_RNA)
where:
Base-Base interactions energy: -87.859
where: short stacking energy: -36.711
Base-Backbone interact. energy: -0.937
local terms energy: -54.502441
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -11.053
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: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -106.294141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.294141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.294141 (E_RNA)
where:
Base-Base interactions energy: -44.030
where: short stacking energy: -40.846
Base-Backbone interact. energy: -0.062
local terms energy: -62.202722
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -95.752429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.752429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.752429 (E_RNA)
where:
Base-Base interactions energy: -43.197
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.439
local terms energy: -52.116587
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -105.017678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.017678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.017678 (E_RNA)
where:
Base-Base interactions energy: -44.975
where: short stacking energy: -37.215
Base-Backbone interact. energy: -0.319
local terms energy: -59.724321
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -85.039746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.039746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.039746 (E_RNA)
where:
Base-Base interactions energy: -40.077
where: short stacking energy: -31.967
Base-Backbone interact. energy: 0.310
local terms energy: -45.271838
where:
bonds (distance) C4'-P energy: -6.786
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -248.944867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.944867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.944867 (E_RNA)
where:
Base-Base interactions energy: -172.364
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.548
local terms energy: -76.033034
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -13.775
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: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -240.374383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.374383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.374383 (E_RNA)
where:
Base-Base interactions energy: -164.523
where: short stacking energy: -70.686
Base-Backbone interact. energy: -0.179
local terms energy: -75.672488
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -176.732247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732247 (E_RNA)
where:
Base-Base interactions energy: -97.603
where: short stacking energy: -56.466
Base-Backbone interact. energy: -1.013
local terms energy: -78.116201
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.896
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: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -203.396337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.396337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.396337 (E_RNA)
where:
Base-Base interactions energy: -120.387
where: short stacking energy: -63.080
Base-Backbone interact. energy: -0.225
local terms energy: -82.784334
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -199.813342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.813342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.813342 (E_RNA)
where:
Base-Base interactions energy: -130.155
where: short stacking energy: -65.991
Base-Backbone interact. energy: -0.020
local terms energy: -69.638238
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -19.097
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: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -160.323352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.323352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.323352 (E_RNA)
where:
Base-Base interactions energy: -99.819
where: short stacking energy: -49.117
Base-Backbone interact. energy: -0.140
local terms energy: -60.365205
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -90.031823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.031823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.031823 (E_RNA)
where:
Base-Base interactions energy: -39.365
where: short stacking energy: -37.473
Base-Backbone interact. energy: 0.515
local terms energy: -51.182326
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -92.100557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.100557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.100557 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -15.976
Base-Backbone interact. energy: -0.790
local terms energy: -55.251744
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -98.910992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.910992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.910992 (E_RNA)
where:
Base-Base interactions energy: -44.489
where: short stacking energy: -21.420
Base-Backbone interact. energy: -0.306
local terms energy: -54.115984
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -7.799
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: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -86.769765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.769765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.769765 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -29.106
Base-Backbone interact. energy: -0.156
local terms energy: -54.544839
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -245.662756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.662756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.662756 (E_RNA)
where:
Base-Base interactions energy: -167.094
where: short stacking energy: -60.547
Base-Backbone interact. energy: -0.555
local terms energy: -78.013706
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -240.836341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.836341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.836341 (E_RNA)
where:
Base-Base interactions energy: -163.873
where: short stacking energy: -70.600
Base-Backbone interact. energy: -1.040
local terms energy: -75.923042
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -219.053988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.053988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.053988 (E_RNA)
where:
Base-Base interactions energy: -140.092
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.441
local terms energy: -78.520299
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -14.655
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: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -181.606217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.606217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.606217 (E_RNA)
where:
Base-Base interactions energy: -114.142
where: short stacking energy: -65.531
Base-Backbone interact. energy: -0.980
local terms energy: -66.484367
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -6.256
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: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -204.337943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.337943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.337943 (E_RNA)
where:
Base-Base interactions energy: -130.252
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.210
local terms energy: -73.875607
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -166.157869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.157869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.157869 (E_RNA)
where:
Base-Base interactions energy: -106.840
where: short stacking energy: -47.135
Base-Backbone interact. energy: -0.028
local terms energy: -59.289815
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -106.943794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.943794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.943794 (E_RNA)
where:
Base-Base interactions energy: -43.925
where: short stacking energy: -37.754
Base-Backbone interact. energy: -0.028
local terms energy: -62.991172
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -101.398115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398115 (E_RNA)
where:
Base-Base interactions energy: -39.842
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.047
local terms energy: -61.509530
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -83.214072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.214072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.214072 (E_RNA)
where:
Base-Base interactions energy: -35.438
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.148
local terms energy: -47.628224
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -83.160590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.160590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.160590 (E_RNA)
where:
Base-Base interactions energy: -31.443
where: short stacking energy: -27.294
Base-Backbone interact. energy: 0.338
local terms energy: -52.055915
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -9.525
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -255.070336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.070336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.070336 (E_RNA)
where:
Base-Base interactions energy: -179.788
where: short stacking energy: -63.750
Base-Backbone interact. energy: -1.382
local terms energy: -73.900547
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -11.764
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: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -244.826880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.826880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.826880 (E_RNA)
where:
Base-Base interactions energy: -158.411
where: short stacking energy: -71.910
Base-Backbone interact. energy: -0.243
local terms energy: -86.172200
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -21.542
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: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -206.001851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.001851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.001851 (E_RNA)
where:
Base-Base interactions energy: -126.976
where: short stacking energy: -72.366
Base-Backbone interact. energy: -0.008
local terms energy: -79.018567
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -9.186
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: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -202.562940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.562940 (E_RNA)
where:
Base-Base interactions energy: -124.640
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.083
local terms energy: -77.840799
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -204.118198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.118198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.118198 (E_RNA)
where:
Base-Base interactions energy: -125.715
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.077
local terms energy: -78.326695
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -18.233
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: 6, replica: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -167.517753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.517753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.517753 (E_RNA)
where:
Base-Base interactions energy: -96.979
where: short stacking energy: -47.245
Base-Backbone interact. energy: 0.126
local terms energy: -70.664626
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -115.764597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.764597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.764597 (E_RNA)
where:
Base-Base interactions energy: -62.429
where: short stacking energy: -39.262
Base-Backbone interact. energy: -0.324
local terms energy: -53.011883
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -8.157
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: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -112.875081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.875081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.875081 (E_RNA)
where:
Base-Base interactions energy: -57.514
where: short stacking energy: -40.257
Base-Backbone interact. energy: -0.542
local terms energy: -54.819116
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -86.319640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.319640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.319640 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -28.454
Base-Backbone interact. energy: -0.016
local terms energy: -57.655321
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -76.171934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.171934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.171934 (E_RNA)
where:
Base-Base interactions energy: -29.052
where: short stacking energy: -23.510
Base-Backbone interact. energy: -0.403
local terms energy: -46.716451
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: 2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -243.269386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.269386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.269386 (E_RNA)
where:
Base-Base interactions energy: -167.809
where: short stacking energy: -78.308
Base-Backbone interact. energy: -0.141
local terms energy: -75.319504
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -12.119
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: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -245.298443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.298443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.298443 (E_RNA)
where:
Base-Base interactions energy: -172.852
where: short stacking energy: -65.194
Base-Backbone interact. energy: -1.382
local terms energy: -71.064455
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -217.525870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.525870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.525870 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -79.682
Base-Backbone interact. energy: 1.110
local terms energy: -83.389315
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -203.689467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.689467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.689467 (E_RNA)
where:
Base-Base interactions energy: -131.004
where: short stacking energy: -69.017
Base-Backbone interact. energy: -0.094
local terms energy: -72.591681
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -195.722734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.722734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.722734 (E_RNA)
where:
Base-Base interactions energy: -117.664
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.682
local terms energy: -77.376331
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -172.080524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.080524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.080524 (E_RNA)
where:
Base-Base interactions energy: -108.178
where: short stacking energy: -65.132
Base-Backbone interact. energy: 3.613
local terms energy: -67.515171
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -119.545754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.545754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.545754 (E_RNA)
where:
Base-Base interactions energy: -56.743
where: short stacking energy: -42.073
Base-Backbone interact. energy: -0.215
local terms energy: -62.587435
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -103.237093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.237093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.237093 (E_RNA)
where:
Base-Base interactions energy: -43.732
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.539
local terms energy: -58.965711
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -83.208390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.208390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.208390 (E_RNA)
where:
Base-Base interactions energy: -30.048
where: short stacking energy: -25.715
Base-Backbone interact. energy: -0.087
local terms energy: -53.072807
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -89.310230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.310230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.310230 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -37.033
Base-Backbone interact. energy: -0.001
local terms energy: -52.276512
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -9.094
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: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -239.648833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.648833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.648833 (E_RNA)
where:
Base-Base interactions energy: -166.378
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.267
local terms energy: -73.003716
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -222.596167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.596167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.596167 (E_RNA)
where:
Base-Base interactions energy: -138.356
where: short stacking energy: -74.839
Base-Backbone interact. energy: -1.549
local terms energy: -82.690953
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -242.661333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.661333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.661333 (E_RNA)
where:
Base-Base interactions energy: -174.121
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.683
local terms energy: -67.858194
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -190.949737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.949737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.949737 (E_RNA)
where:
Base-Base interactions energy: -115.939
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.618
local terms energy: -74.393251
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -183.435714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.435714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.435714 (E_RNA)
where:
Base-Base interactions energy: -104.775
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.122
local terms energy: -78.539090
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -12.955
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: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -170.058367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.058367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.058367 (E_RNA)
where:
Base-Base interactions energy: -108.909
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.028
local terms energy: -61.120879
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -10.608
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: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -96.590499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.590499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.590499 (E_RNA)
where:
Base-Base interactions energy: -36.438
where: short stacking energy: -23.680
Base-Backbone interact. energy: -0.133
local terms energy: -60.019323
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -110.960685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.960685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.960685 (E_RNA)
where:
Base-Base interactions energy: -49.308
where: short stacking energy: -30.108
Base-Backbone interact. energy: 0.383
local terms energy: -62.035552
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -90.374308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.374308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.374308 (E_RNA)
where:
Base-Base interactions energy: -31.416
where: short stacking energy: -28.777
Base-Backbone interact. energy: 3.279
local terms energy: -62.236652
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -79.549863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.549863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.549863 (E_RNA)
where:
Base-Base interactions energy: -24.303
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.187
local terms energy: -55.059657
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -0.901
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: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -242.807175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.807175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.807175 (E_RNA)
where:
Base-Base interactions energy: -162.869
where: short stacking energy: -69.073
Base-Backbone interact. energy: -1.220
local terms energy: -78.718317
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -217.958633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.958633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.958633 (E_RNA)
where:
Base-Base interactions energy: -146.133
where: short stacking energy: -66.749
Base-Backbone interact. energy: -0.123
local terms energy: -71.702279
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -231.594594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.594594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.594594 (E_RNA)
where:
Base-Base interactions energy: -155.609
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.863
local terms energy: -75.122809
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -188.035885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.035885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.035885 (E_RNA)
where:
Base-Base interactions energy: -116.992
where: short stacking energy: -56.209
Base-Backbone interact. energy: -0.027
local terms energy: -71.017203
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.873
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: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -190.094422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.094422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.094422 (E_RNA)
where:
Base-Base interactions energy: -115.172
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.185
local terms energy: -74.737474
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -15.575
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: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -157.366288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.366288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.366288 (E_RNA)
where:
Base-Base interactions energy: -99.305
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.033
local terms energy: -58.028893
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -7.116
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -100.561232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.561232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.561232 (E_RNA)
where:
Base-Base interactions energy: -39.143
where: short stacking energy: -38.233
Base-Backbone interact. energy: -1.016
local terms energy: -60.401768
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -88.831778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831778 (E_RNA)
where:
Base-Base interactions energy: -31.935
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.074
local terms energy: -56.822449
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -88.861443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.861443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.861443 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -26.901
Base-Backbone interact. energy: -0.207
local terms energy: -52.408477
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -7.374
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -4.960
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: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -79.898197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.898197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.898197 (E_RNA)
where:
Base-Base interactions energy: -29.267
where: short stacking energy: -29.267
Base-Backbone interact. energy: -0.005
local terms energy: -50.626131
where:
bonds (distance) C4'-P energy: -7.597
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -243.447795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447795 (E_RNA)
where:
Base-Base interactions energy: -162.419
where: short stacking energy: -74.403
Base-Backbone interact. energy: -0.625
local terms energy: -80.404157
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -6.957
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: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -242.111991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.111991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.111991 (E_RNA)
where:
Base-Base interactions energy: -163.263
where: short stacking energy: -63.007
Base-Backbone interact. energy: -2.208
local terms energy: -76.640759
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -214.700591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.700591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.700591 (E_RNA)
where:
Base-Base interactions energy: -135.184
where: short stacking energy: -71.680
Base-Backbone interact. energy: -0.480
local terms energy: -79.036359
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -8.462
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: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -199.952692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.952692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.952692 (E_RNA)
where:
Base-Base interactions energy: -125.875
where: short stacking energy: -68.306
Base-Backbone interact. energy: -0.010
local terms energy: -74.067591
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -184.410604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.410604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.410604 (E_RNA)
where:
Base-Base interactions energy: -113.164
where: short stacking energy: -53.181
Base-Backbone interact. energy: -0.675
local terms energy: -70.571434
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -163.377192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.377192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.377192 (E_RNA)
where:
Base-Base interactions energy: -95.821
where: short stacking energy: -48.443
Base-Backbone interact. energy: -0.251
local terms energy: -67.305095
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -11.109
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: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -109.336974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.336974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.336974 (E_RNA)
where:
Base-Base interactions energy: -47.304
where: short stacking energy: -39.702
Base-Backbone interact. energy: -0.769
local terms energy: -61.263460
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.953
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: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -92.906530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.906530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.906530 (E_RNA)
where:
Base-Base interactions energy: -36.174
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.039
local terms energy: -56.693925
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -86.549426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.549426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.549426 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -27.808
Base-Backbone interact. energy: 0.069
local terms energy: -56.940189
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -81.202211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.202211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.202211 (E_RNA)
where:
Base-Base interactions energy: -33.477
where: short stacking energy: -28.754
Base-Backbone interact. energy: -0.136
local terms energy: -47.588820
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: 3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -246.478290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.478290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.478290 (E_RNA)
where:
Base-Base interactions energy: -170.140
where: short stacking energy: -68.678
Base-Backbone interact. energy: -1.461
local terms energy: -74.877477
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -240.940584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.940584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.940584 (E_RNA)
where:
Base-Base interactions energy: -161.190
where: short stacking energy: -80.796
Base-Backbone interact. energy: -0.414
local terms energy: -79.336352
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -23.040
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: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -208.360186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.360186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.360186 (E_RNA)
where:
Base-Base interactions energy: -125.975
where: short stacking energy: -65.827
Base-Backbone interact. energy: -0.029
local terms energy: -82.357027
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -212.001446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.001446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.001446 (E_RNA)
where:
Base-Base interactions energy: -132.868
where: short stacking energy: -75.497
Base-Backbone interact. energy: -0.005
local terms energy: -79.127912
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -183.106958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.106958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.106958 (E_RNA)
where:
Base-Base interactions energy: -108.208
where: short stacking energy: -53.598
Base-Backbone interact. energy: -0.667
local terms energy: -74.232186
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -188.302324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.302324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.302324 (E_RNA)
where:
Base-Base interactions energy: -112.438
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.140
local terms energy: -75.724814
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.602
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: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -90.502448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.502448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.502448 (E_RNA)
where:
Base-Base interactions energy: -31.585
where: short stacking energy: -22.808
Base-Backbone interact. energy: -0.267
local terms energy: -58.650477
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: 1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -97.811288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.811288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.811288 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.129
local terms energy: -62.823631
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -90.760708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.760708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.760708 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.277
local terms energy: -57.919062
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -85.104925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.104925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.104925 (E_RNA)
where:
Base-Base interactions energy: -26.008
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.055
local terms energy: -59.041282
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -250.739147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.739147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.739147 (E_RNA)
where:
Base-Base interactions energy: -172.658
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.854
local terms energy: -77.226880
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -15.591
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: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -221.579394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.579394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.579394 (E_RNA)
where:
Base-Base interactions energy: -144.075
where: short stacking energy: -72.078
Base-Backbone interact. energy: -0.060
local terms energy: -77.444339
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -20.376
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: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -238.079263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.079263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.079263 (E_RNA)
where:
Base-Base interactions energy: -161.584
where: short stacking energy: -78.129
Base-Backbone interact. energy: -1.572
local terms energy: -74.923234
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -9.617
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: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -204.634318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.634318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.634318 (E_RNA)
where:
Base-Base interactions energy: -125.226
where: short stacking energy: -56.784
Base-Backbone interact. energy: -0.150
local terms energy: -79.257995
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -17.208
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: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -168.789240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.789240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.789240 (E_RNA)
where:
Base-Base interactions energy: -96.685
where: short stacking energy: -55.052
Base-Backbone interact. energy: -0.207
local terms energy: -71.896979
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -15.319
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: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -109.266723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.266723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.266723 (E_RNA)
where:
Base-Base interactions energy: -47.223
where: short stacking energy: -45.993
Base-Backbone interact. energy: 0.227
local terms energy: -62.270471
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -2.962
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -148.715834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.715834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.715834 (E_RNA)
where:
Base-Base interactions energy: -96.825
where: short stacking energy: -36.451
Base-Backbone interact. energy: -1.782
local terms energy: -50.109533
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -0.669
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: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -95.300283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.300283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.300283 (E_RNA)
where:
Base-Base interactions energy: -41.344
where: short stacking energy: -41.344
Base-Backbone interact. energy: -0.038
local terms energy: -53.918609
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -89.811675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.811675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.811675 (E_RNA)
where:
Base-Base interactions energy: -40.739
where: short stacking energy: -32.644
Base-Backbone interact. energy: 1.343
local terms energy: -50.415588
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -82.754611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754611 (E_RNA)
where:
Base-Base interactions energy: -33.360
where: short stacking energy: -31.361
Base-Backbone interact. energy: -0.391
local terms energy: -49.003900
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -6.773
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -249.088148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.088148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.088148 (E_RNA)
where:
Base-Base interactions energy: -172.537
where: short stacking energy: -71.364
Base-Backbone interact. energy: -0.396
local terms energy: -76.155223
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -13.562
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: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -210.252263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.252263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.252263 (E_RNA)
where:
Base-Base interactions energy: -131.113
where: short stacking energy: -73.665
Base-Backbone interact. energy: -0.522
local terms energy: -78.616932
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -211.189081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.189081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.189081 (E_RNA)
where:
Base-Base interactions energy: -139.897
where: short stacking energy: -76.935
Base-Backbone interact. energy: -0.840
local terms energy: -70.452057
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -228.806392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.806392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.806392 (E_RNA)
where:
Base-Base interactions energy: -151.059
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.126
local terms energy: -77.622272
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -19.238
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: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -128.184808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.184808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.184808 (E_RNA)
where:
Base-Base interactions energy: -54.027
where: short stacking energy: -54.027
Base-Backbone interact. energy: -0.006
local terms energy: -74.151822
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -152.318397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.318397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.318397 (E_RNA)
where:
Base-Base interactions energy: -91.816
where: short stacking energy: -38.789
Base-Backbone interact. energy: -0.596
local terms energy: -59.906725
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -166.273909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.273909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.273909 (E_RNA)
where:
Base-Base interactions energy: -107.634
where: short stacking energy: -48.998
Base-Backbone interact. energy: -0.480
local terms energy: -58.159919
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -97.785049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.785049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.785049 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -38.600
Base-Backbone interact. energy: -0.168
local terms energy: -54.564958
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -83.730362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.730362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.730362 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -27.051
Base-Backbone interact. energy: -0.392
local terms energy: -49.067895
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -2.931
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: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -82.290202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.290202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.290202 (E_RNA)
where:
Base-Base interactions energy: -31.452
where: short stacking energy: -11.846
Base-Backbone interact. energy: -0.545
local terms energy: -50.292709
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: 3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -249.666772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.666772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.666772 (E_RNA)
where:
Base-Base interactions energy: -168.505
where: short stacking energy: -70.143
Base-Backbone interact. energy: -0.896
local terms energy: -80.264963
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -11.609
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: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -223.430767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.430767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.430767 (E_RNA)
where:
Base-Base interactions energy: -138.720
where: short stacking energy: -81.100
Base-Backbone interact. energy: -0.075
local terms energy: -84.635512
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -209.247551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.247551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.247551 (E_RNA)
where:
Base-Base interactions energy: -140.193
where: short stacking energy: -60.225
Base-Backbone interact. energy: -0.145
local terms energy: -68.909690
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -225.583336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.583336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.583336 (E_RNA)
where:
Base-Base interactions energy: -145.276
where: short stacking energy: -70.039
Base-Backbone interact. energy: 0.543
local terms energy: -80.850440
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -108.912927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.912927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.912927 (E_RNA)
where:
Base-Base interactions energy: -52.857
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.150
local terms energy: -55.905677
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -185.519194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519194 (E_RNA)
where:
Base-Base interactions energy: -112.065
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.151
local terms energy: -73.303094
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -13.959
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: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -142.237267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.237267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.237267 (E_RNA)
where:
Base-Base interactions energy: -80.445
where: short stacking energy: -40.486
Base-Backbone interact. energy: -1.664
local terms energy: -60.127780
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -91.643778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.643778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.643778 (E_RNA)
where:
Base-Base interactions energy: -33.209
where: short stacking energy: -30.708
Base-Backbone interact. energy: -0.263
local terms energy: -58.171542
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -83.720226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.720226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.720226 (E_RNA)
where:
Base-Base interactions energy: -39.061
where: short stacking energy: -26.253
Base-Backbone interact. energy: -0.187
local terms energy: -44.471600
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: 3.764
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: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -86.408493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.408493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.408493 (E_RNA)
where:
Base-Base interactions energy: -36.068
where: short stacking energy: -24.092
Base-Backbone interact. energy: -0.097
local terms energy: -50.242750
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -2.843
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: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -244.760447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.760447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.760447 (E_RNA)
where:
Base-Base interactions energy: -169.214
where: short stacking energy: -73.060
Base-Backbone interact. energy: -0.918
local terms energy: -74.628986
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -215.179171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.179171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.179171 (E_RNA)
where:
Base-Base interactions energy: -130.351
where: short stacking energy: -72.193
Base-Backbone interact. energy: -0.496
local terms energy: -84.332003
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -233.439969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.439969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.439969 (E_RNA)
where:
Base-Base interactions energy: -157.002
where: short stacking energy: -63.824
Base-Backbone interact. energy: -0.134
local terms energy: -76.303787
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -218.821124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.821124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821124 (E_RNA)
where:
Base-Base interactions energy: -140.336
where: short stacking energy: -76.521
Base-Backbone interact. energy: -0.795
local terms energy: -77.690348
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -20.351
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: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -177.750820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.750820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.750820 (E_RNA)
where:
Base-Base interactions energy: -106.546
where: short stacking energy: -48.909
Base-Backbone interact. energy: -0.252
local terms energy: -70.953496
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -106.233262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.233262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.233262 (E_RNA)
where:
Base-Base interactions energy: -50.557
where: short stacking energy: -50.557
Base-Backbone interact. energy: -0.384
local terms energy: -55.292526
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -6.854
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: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -104.195237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.195237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.195237 (E_RNA)
where:
Base-Base interactions energy: -48.593
where: short stacking energy: -32.332
Base-Backbone interact. energy: -0.556
local terms energy: -55.046218
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -90.930399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.930399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.930399 (E_RNA)
where:
Base-Base interactions energy: -39.590
where: short stacking energy: -39.590
Base-Backbone interact. energy: -0.071
local terms energy: -51.269140
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -3.652
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: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -82.548158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548158 (E_RNA)
where:
Base-Base interactions energy: -29.264
where: short stacking energy: -20.873
Base-Backbone interact. energy: -0.104
local terms energy: -53.180544
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -82.154616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.154616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.154616 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -27.521
Base-Backbone interact. energy: -0.199
local terms energy: -44.570897
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -8.273
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: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -248.985794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.985794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.985794 (E_RNA)
where:
Base-Base interactions energy: -174.263
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.499
local terms energy: -74.223729
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -239.312966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.312966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.312966 (E_RNA)
where:
Base-Base interactions energy: -167.118
where: short stacking energy: -65.843
Base-Backbone interact. energy: -0.252
local terms energy: -71.943400
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -217.080536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.080536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.080536 (E_RNA)
where:
Base-Base interactions energy: -132.124
where: short stacking energy: -73.730
Base-Backbone interact. energy: -0.018
local terms energy: -84.938610
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -193.817221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.817221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.817221 (E_RNA)
where:
Base-Base interactions energy: -115.335
where: short stacking energy: -63.214
Base-Backbone interact. energy: -0.078
local terms energy: -78.404331
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -182.091948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.091948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.091948 (E_RNA)
where:
Base-Base interactions energy: -104.808
where: short stacking energy: -47.481
Base-Backbone interact. energy: -0.731
local terms energy: -76.552321
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -10.611
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: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -172.889914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.889914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.889914 (E_RNA)
where:
Base-Base interactions energy: -107.380
where: short stacking energy: -50.355
Base-Backbone interact. energy: -0.285
local terms energy: -65.224879
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -92.197653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.197653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.197653 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -37.113
Base-Backbone interact. energy: 0.575
local terms energy: -53.152642
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -92.227335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.227335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.227335 (E_RNA)
where:
Base-Base interactions energy: -39.566
where: short stacking energy: -36.249
Base-Backbone interact. energy: -0.201
local terms energy: -52.460317
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -90.157649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.157649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.157649 (E_RNA)
where:
Base-Base interactions energy: -42.193
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.931
local terms energy: -47.033825
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -79.695382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.695382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.695382 (E_RNA)
where:
Base-Base interactions energy: -37.602
where: short stacking energy: -25.389
Base-Backbone interact. energy: 0.488
local terms energy: -42.581635
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -4.492
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -258.684139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.684139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.684139 (E_RNA)
where:
Base-Base interactions energy: -182.313
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.026
local terms energy: -76.345075
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -228.548899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.548899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.548899 (E_RNA)
where:
Base-Base interactions energy: -154.003
where: short stacking energy: -64.123
Base-Backbone interact. energy: -1.150
local terms energy: -73.396062
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.307
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: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -218.824517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.824517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.824517 (E_RNA)
where:
Base-Base interactions energy: -140.758
where: short stacking energy: -80.558
Base-Backbone interact. energy: 0.324
local terms energy: -78.390208
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -20.826
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: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -188.688472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.688472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.688472 (E_RNA)
where:
Base-Base interactions energy: -113.186
where: short stacking energy: -60.253
Base-Backbone interact. energy: -1.398
local terms energy: -74.105227
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -195.168810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.168810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.168810 (E_RNA)
where:
Base-Base interactions energy: -122.003
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.014
local terms energy: -73.152158
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -179.775810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.775810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.775810 (E_RNA)
where:
Base-Base interactions energy: -116.927
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.083
local terms energy: -62.766310
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -8.419
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: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -116.134871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.134871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.134871 (E_RNA)
where:
Base-Base interactions energy: -55.715
where: short stacking energy: -28.105
Base-Backbone interact. energy: -0.185
local terms energy: -60.234673
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -11.967
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: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -105.853005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.853005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.853005 (E_RNA)
where:
Base-Base interactions energy: -43.670
where: short stacking energy: -43.670
Base-Backbone interact. energy: -0.001
local terms energy: -62.182658
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -86.794934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.794934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.794934 (E_RNA)
where:
Base-Base interactions energy: -28.654
where: short stacking energy: -24.837
Base-Backbone interact. energy: -0.106
local terms energy: -58.034311
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -83.481823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.481823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.481823 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -31.990
Base-Backbone interact. energy: -0.099
local terms energy: -51.392659
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -6.071
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: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -253.605552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.605552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.605552 (E_RNA)
where:
Base-Base interactions energy: -183.740
where: short stacking energy: -66.142
Base-Backbone interact. energy: -0.548
local terms energy: -69.318237
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -11.240
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: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -217.445969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.445969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.445969 (E_RNA)
where:
Base-Base interactions energy: -139.342
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.355
local terms energy: -77.749009
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -9.692
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: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -223.303119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.303119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.303119 (E_RNA)
where:
Base-Base interactions energy: -152.875
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.327
local terms energy: -70.100823
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -10.851
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: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -215.730024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.730024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.730024 (E_RNA)
where:
Base-Base interactions energy: -139.516
where: short stacking energy: -68.968
Base-Backbone interact. energy: -0.182
local terms energy: -76.032203
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -10.678
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: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -198.776311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.776311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.776311 (E_RNA)
where:
Base-Base interactions energy: -117.484
where: short stacking energy: -51.731
Base-Backbone interact. energy: -1.782
local terms energy: -79.510821
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -178.304439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.304439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.304439 (E_RNA)
where:
Base-Base interactions energy: -120.798
where: short stacking energy: -44.946
Base-Backbone interact. energy: -0.257
local terms energy: -57.249057
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -10.324
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: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -94.136301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.136301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.136301 (E_RNA)
where:
Base-Base interactions energy: -46.175
where: short stacking energy: -26.964
Base-Backbone interact. energy: -0.913
local terms energy: -47.048137
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -85.337503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.337503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.337503 (E_RNA)
where:
Base-Base interactions energy: -33.960
where: short stacking energy: -25.127
Base-Backbone interact. energy: 2.035
local terms energy: -53.412523
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -0.373
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: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -81.829070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.829070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.829070 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.118
local terms energy: -52.562076
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -8.861
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: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -90.269403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.269403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.269403 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.120
local terms energy: -49.279785
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -256.981189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.981189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.981189 (E_RNA)
where:
Base-Base interactions energy: -186.918
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.629
local terms energy: -69.433663
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -14.742
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: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -212.507735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.507735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.507735 (E_RNA)
where:
Base-Base interactions energy: -125.567
where: short stacking energy: -65.657
Base-Backbone interact. energy: -0.005
local terms energy: -86.935319
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -12.146
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: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -211.751283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.751283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.751283 (E_RNA)
where:
Base-Base interactions energy: -135.044
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.095
local terms energy: -76.612258
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -226.493495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.493495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.493495 (E_RNA)
where:
Base-Base interactions energy: -152.126
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.311
local terms energy: -74.056713
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -168.250973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.250973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.250973 (E_RNA)
where:
Base-Base interactions energy: -102.211
where: short stacking energy: -59.791
Base-Backbone interact. energy: -0.183
local terms energy: -65.856848
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -153.851755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.851755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.851755 (E_RNA)
where:
Base-Base interactions energy: -90.200
where: short stacking energy: -48.982
Base-Backbone interact. energy: -0.031
local terms energy: -63.620406
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -9.898
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: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -96.711894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.711894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.711894 (E_RNA)
where:
Base-Base interactions energy: -41.286
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.187
local terms energy: -55.239156
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -3.974
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: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -124.666910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.666910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.666910 (E_RNA)
where:
Base-Base interactions energy: -68.983
where: short stacking energy: -31.816
Base-Backbone interact. energy: -0.317
local terms energy: -55.367460
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -86.992978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.992978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.992978 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.464
local terms energy: -54.352244
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -2.245
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: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -84.506130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.506130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.506130 (E_RNA)
where:
Base-Base interactions energy: -31.214
where: short stacking energy: -27.232
Base-Backbone interact. energy: -0.235
local terms energy: -53.057009
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -266.301117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.301117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.301117 (E_RNA)
where:
Base-Base interactions energy: -186.411
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.716
local terms energy: -79.173527
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -15.575
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: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -207.392279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.392279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.392279 (E_RNA)
where:
Base-Base interactions energy: -132.312
where: short stacking energy: -66.231
Base-Backbone interact. energy: 0.254
local terms energy: -75.334225
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -219.335635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.335635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.335635 (E_RNA)
where:
Base-Base interactions energy: -144.546
where: short stacking energy: -69.578
Base-Backbone interact. energy: -1.293
local terms energy: -73.496994
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -222.013506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.013506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.013506 (E_RNA)
where:
Base-Base interactions energy: -150.005
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.060
local terms energy: -71.949084
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -176.091917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.091917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.091917 (E_RNA)
where:
Base-Base interactions energy: -101.196
where: short stacking energy: -50.229
Base-Backbone interact. energy: -0.200
local terms energy: -74.696554
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -166.618397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.618397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.618397 (E_RNA)
where:
Base-Base interactions energy: -98.562
where: short stacking energy: -51.652
Base-Backbone interact. energy: -0.063
local terms energy: -67.993204
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -92.816019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.816019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.816019 (E_RNA)
where:
Base-Base interactions energy: -43.751
where: short stacking energy: -27.299
Base-Backbone interact. energy: 1.479
local terms energy: -50.544200
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -89.278239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.278239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.278239 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -22.396
Base-Backbone interact. energy: -0.083
local terms energy: -52.951834
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -93.712416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.712416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.712416 (E_RNA)
where:
Base-Base interactions energy: -29.232
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.255
local terms energy: -64.226243
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -82.028222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.028222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.028222 (E_RNA)
where:
Base-Base interactions energy: -31.076
where: short stacking energy: -26.256
Base-Backbone interact. energy: -1.018
local terms energy: -49.933919
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -1.959
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -256.361191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.361191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.361191 (E_RNA)
where:
Base-Base interactions energy: -181.315
where: short stacking energy: -60.929
Base-Backbone interact. energy: 0.680
local terms energy: -75.725658
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -220.483325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.483325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.483325 (E_RNA)
where:
Base-Base interactions energy: -140.051
where: short stacking energy: -81.782
Base-Backbone interact. energy: -0.107
local terms energy: -80.326006
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -25.252
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: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -215.767012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.767012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.767012 (E_RNA)
where:
Base-Base interactions energy: -150.589
where: short stacking energy: -61.222
Base-Backbone interact. energy: -0.793
local terms energy: -64.385079
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -212.894900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.894900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.894900 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.662
local terms energy: -80.515206
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -200.196949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.196949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.196949 (E_RNA)
where:
Base-Base interactions energy: -122.829
where: short stacking energy: -66.236
Base-Backbone interact. energy: -0.098
local terms energy: -77.270066
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -16.288
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: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -173.576402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.576402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.576402 (E_RNA)
where:
Base-Base interactions energy: -108.888
where: short stacking energy: -55.071
Base-Backbone interact. energy: -0.147
local terms energy: -64.541201
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -105.228824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.228824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.228824 (E_RNA)
where:
Base-Base interactions energy: -50.940
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.009
local terms energy: -54.280357
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -89.188562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.188562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.188562 (E_RNA)
where:
Base-Base interactions energy: -35.612
where: short stacking energy: -35.612
Base-Backbone interact. energy: -0.042
local terms energy: -53.534999
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -3.408
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: 124
Temperature: 1.300000
Total energy: -99.448109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.448109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.448109 (E_RNA)
where:
Base-Base interactions energy: -40.095
where: short stacking energy: -40.095
Base-Backbone interact. energy: -0.222
local terms energy: -59.130850
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -91.424133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.424133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.424133 (E_RNA)
where:
Base-Base interactions energy: -35.898
where: short stacking energy: -31.759
Base-Backbone interact. energy: -0.242
local terms energy: -55.284067
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -6.475
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -252.701250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.701250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.701250 (E_RNA)
where:
Base-Base interactions energy: -175.602
where: short stacking energy: -68.439
Base-Backbone interact. energy: -1.297
local terms energy: -75.802254
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -235.824121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.824121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.824121 (E_RNA)
where:
Base-Base interactions energy: -169.102
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.446
local terms energy: -66.276359
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -13.189
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: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -206.725279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.725279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.725279 (E_RNA)
where:
Base-Base interactions energy: -129.607
where: short stacking energy: -68.194
Base-Backbone interact. energy: 0.690
local terms energy: -77.808506
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -21.834
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: 125
Temperature: 1.050000
Total energy: -194.665746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.665746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.665746 (E_RNA)
where:
Base-Base interactions energy: -121.826
where: short stacking energy: -57.300
Base-Backbone interact. energy: -0.805
local terms energy: -72.034567
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -204.297019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.297019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.297019 (E_RNA)
where:
Base-Base interactions energy: -130.541
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.513
local terms energy: -73.242203
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -8.259
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: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -160.456831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.456831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.456831 (E_RNA)
where:
Base-Base interactions energy: -96.000
where: short stacking energy: -56.730
Base-Backbone interact. energy: -0.025
local terms energy: -64.431844
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -8.847
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: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -104.215470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.215470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.215470 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -36.565
Base-Backbone interact. energy: -0.211
local terms energy: -57.343050
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -98.244343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.244343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.244343 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -37.172
Base-Backbone interact. energy: -0.402
local terms energy: -60.669716
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -9.667
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: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -88.846061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.846061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.846061 (E_RNA)
where:
Base-Base interactions energy: -42.025
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.106
local terms energy: -46.715499
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -94.699152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.699152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.699152 (E_RNA)
where:
Base-Base interactions energy: -41.427
where: short stacking energy: -18.009
Base-Backbone interact. energy: -0.861
local terms energy: -52.410793
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: 1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -259.050697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.050697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.050697 (E_RNA)
where:
Base-Base interactions energy: -184.937
where: short stacking energy: -63.595
Base-Backbone interact. energy: -1.149
local terms energy: -72.964213
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -216.661133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.661133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.661133 (E_RNA)
where:
Base-Base interactions energy: -143.027
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.152
local terms energy: -73.482076
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -220.429935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.429935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.429935 (E_RNA)
where:
Base-Base interactions energy: -141.566
where: short stacking energy: -77.700
Base-Backbone interact. energy: 0.070
local terms energy: -78.934135
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -203.989950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.989950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.989950 (E_RNA)
where:
Base-Base interactions energy: -129.064
where: short stacking energy: -70.908
Base-Backbone interact. energy: -0.323
local terms energy: -74.602603
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -170.175301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.175301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.175301 (E_RNA)
where:
Base-Base interactions energy: -104.448
where: short stacking energy: -48.168
Base-Backbone interact. energy: -0.256
local terms energy: -65.470900
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -166.202884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.202884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.202884 (E_RNA)
where:
Base-Base interactions energy: -106.090
where: short stacking energy: -56.325
Base-Backbone interact. energy: -0.023
local terms energy: -60.090252
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -9.484
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -90.307328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.307328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.307328 (E_RNA)
where:
Base-Base interactions energy: -37.709
where: short stacking energy: -37.435
Base-Backbone interact. energy: 3.919
local terms energy: -56.517756
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.812
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: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -92.559305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.559305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.559305 (E_RNA)
where:
Base-Base interactions energy: -41.358
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.206
local terms energy: -50.995710
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.804
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: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -89.574510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574510 (E_RNA)
where:
Base-Base interactions energy: -42.403
where: short stacking energy: -38.521
Base-Backbone interact. energy: -0.328
local terms energy: -46.843749
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -8.298
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -3.792
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: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -85.809743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.809743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.809743 (E_RNA)
where:
Base-Base interactions energy: -45.796
where: short stacking energy: -45.146
Base-Backbone interact. energy: -0.057
local terms energy: -39.956774
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -7.631
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -7.580
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: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -259.978680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.978680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.978680 (E_RNA)
where:
Base-Base interactions energy: -183.909
where: short stacking energy: -63.187
Base-Backbone interact. energy: -1.220
local terms energy: -74.850093
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -11.818
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: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -221.150731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.150731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.150731 (E_RNA)
where:
Base-Base interactions energy: -148.453
where: short stacking energy: -67.365
Base-Backbone interact. energy: -0.279
local terms energy: -72.418066
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -194.305842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.305842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.305842 (E_RNA)
where:
Base-Base interactions energy: -127.291
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.020
local terms energy: -66.994553
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -201.574505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.574505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.574505 (E_RNA)
where:
Base-Base interactions energy: -123.270
where: short stacking energy: -64.282
Base-Backbone interact. energy: -0.526
local terms energy: -77.778522
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -175.402946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.402946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.402946 (E_RNA)
where:
Base-Base interactions energy: -99.712
where: short stacking energy: -54.722
Base-Backbone interact. energy: -1.043
local terms energy: -74.647490
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -148.434809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.434809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.434809 (E_RNA)
where:
Base-Base interactions energy: -83.282
where: short stacking energy: -42.165
Base-Backbone interact. energy: -0.821
local terms energy: -64.330961
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -12.519
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: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -106.814080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.814080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.814080 (E_RNA)
where:
Base-Base interactions energy: -52.157
where: short stacking energy: -28.474
Base-Backbone interact. energy: -0.061
local terms energy: -54.595725
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -95.457809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.457809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.457809 (E_RNA)
where:
Base-Base interactions energy: -44.944
where: short stacking energy: -32.320
Base-Backbone interact. energy: -0.567
local terms energy: -49.946604
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -8.246
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -10.927
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: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -83.326096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.326096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.326096 (E_RNA)
where:
Base-Base interactions energy: -26.135
where: short stacking energy: -26.135
Base-Backbone interact. energy: -0.432
local terms energy: -56.759292
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -104.435852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.435852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.435852 (E_RNA)
where:
Base-Base interactions energy: -41.751
where: short stacking energy: -41.308
Base-Backbone interact. energy: -0.041
local terms energy: -62.643888
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -269.352692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.352692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.352692 (E_RNA)
where:
Base-Base interactions energy: -191.579
where: short stacking energy: -65.370
Base-Backbone interact. energy: -1.324
local terms energy: -76.449535
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -222.756075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.756075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.756075 (E_RNA)
where:
Base-Base interactions energy: -143.559
where: short stacking energy: -65.475
Base-Backbone interact. energy: -1.348
local terms energy: -77.849306
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -214.669579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.669579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.669579 (E_RNA)
where:
Base-Base interactions energy: -126.352
where: short stacking energy: -66.012
Base-Backbone interact. energy: -0.663
local terms energy: -87.655092
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -200.005836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.005836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.005836 (E_RNA)
where:
Base-Base interactions energy: -124.076
where: short stacking energy: -63.530
Base-Backbone interact. energy: -0.085
local terms energy: -75.844786
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -7.102
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: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -181.299670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.299670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.299670 (E_RNA)
where:
Base-Base interactions energy: -111.591
where: short stacking energy: -52.099
Base-Backbone interact. energy: -0.184
local terms energy: -69.524220
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -12.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -171.729489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.729489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.729489 (E_RNA)
where:
Base-Base interactions energy: -106.611
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.178
local terms energy: -64.940309
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -128.128564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.128564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.128564 (E_RNA)
where:
Base-Base interactions energy: -64.219
where: short stacking energy: -44.908
Base-Backbone interact. energy: -0.391
local terms energy: -63.518452
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -10.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -95.423996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.423996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.423996 (E_RNA)
where:
Base-Base interactions energy: -34.771
where: short stacking energy: -35.171
Base-Backbone interact. energy: -0.218
local terms energy: -60.435257
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -89.338936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.338936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.338936 (E_RNA)
where:
Base-Base interactions energy: -41.226
where: short stacking energy: -38.375
Base-Backbone interact. energy: -0.088
local terms energy: -48.024729
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -4.277
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: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -86.672727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.672727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.672727 (E_RNA)
where:
Base-Base interactions energy: -29.299
where: short stacking energy: -29.299
Base-Backbone interact. energy: -0.121
local terms energy: -57.252970
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -267.208567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.208567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.208567 (E_RNA)
where:
Base-Base interactions energy: -192.362
where: short stacking energy: -66.848
Base-Backbone interact. energy: -1.037
local terms energy: -73.808892
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -214.012646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.012646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.012646 (E_RNA)
where:
Base-Base interactions energy: -141.911
where: short stacking energy: -78.811
Base-Backbone interact. energy: -0.833
local terms energy: -71.268515
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -215.980141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.980141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.980141 (E_RNA)
where:
Base-Base interactions energy: -143.426
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.431
local terms energy: -72.123191
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -196.834164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.834164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.834164 (E_RNA)
where:
Base-Base interactions energy: -122.653
where: short stacking energy: -65.596
Base-Backbone interact. energy: -0.039
local terms energy: -74.142360
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -178.335683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.335683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.335683 (E_RNA)
where:
Base-Base interactions energy: -110.601
where: short stacking energy: -54.086
Base-Backbone interact. energy: -0.212
local terms energy: -67.522517
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -194.427731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.427731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.427731 (E_RNA)
where:
Base-Base interactions energy: -131.079
where: short stacking energy: -61.573
Base-Backbone interact. energy: 1.518
local terms energy: -64.866590
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.069
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: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -102.927114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.927114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.927114 (E_RNA)
where:
Base-Base interactions energy: -44.556
where: short stacking energy: -41.781
Base-Backbone interact. energy: -0.404
local terms energy: -57.966711
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -101.500226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.500226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.500226 (E_RNA)
where:
Base-Base interactions energy: -45.552
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.192
local terms energy: -55.756462
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -82.323633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.323633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.323633 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.152
local terms energy: -50.015177
where:
bonds (distance) C4'-P energy: -6.309
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -90.653233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.653233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.653233 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -20.725
Base-Backbone interact. energy: -0.062
local terms energy: -53.478536
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: 2.141
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: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -253.860216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.860216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.860216 (E_RNA)
where:
Base-Base interactions energy: -172.950
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.742
local terms energy: -80.168271
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -12.810
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -221.576436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.576436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.576436 (E_RNA)
where:
Base-Base interactions energy: -136.444
where: short stacking energy: -75.059
Base-Backbone interact. energy: 0.550
local terms energy: -85.682191
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -229.767006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.767006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.767006 (E_RNA)
where:
Base-Base interactions energy: -155.384
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.353
local terms energy: -74.029645
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -190.084418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.084418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.084418 (E_RNA)
where:
Base-Base interactions energy: -124.955
where: short stacking energy: -58.472
Base-Backbone interact. energy: -0.344
local terms energy: -64.786316
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -202.628752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.628752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.628752 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.229
local terms energy: -71.500766
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -13.329
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: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -170.144592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.144592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.144592 (E_RNA)
where:
Base-Base interactions energy: -109.144
where: short stacking energy: -51.353
Base-Backbone interact. energy: -0.699
local terms energy: -60.301971
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -14.092
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: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -90.035786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.035786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.035786 (E_RNA)
where:
Base-Base interactions energy: -32.937
where: short stacking energy: -30.320
Base-Backbone interact. energy: -0.214
local terms energy: -56.884568
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -3.903
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: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -113.068978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.068978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.068978 (E_RNA)
where:
Base-Base interactions energy: -58.051
where: short stacking energy: -37.503
Base-Backbone interact. energy: 0.236
local terms energy: -55.254105
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -1.421
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: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -89.455388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.455388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.455388 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -22.685
Base-Backbone interact. energy: -0.128
local terms energy: -54.933470
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: 0.119
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: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -81.096600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.096600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.096600 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.074
local terms energy: -50.364924
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -245.879364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.879364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.879364 (E_RNA)
where:
Base-Base interactions energy: -163.994
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.706
local terms energy: -81.178717
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -231.782331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.782331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.782331 (E_RNA)
where:
Base-Base interactions energy: -155.764
where: short stacking energy: -65.040
Base-Backbone interact. energy: -0.071
local terms energy: -75.947130
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -209.323260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.323260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.323260 (E_RNA)
where:
Base-Base interactions energy: -141.165
where: short stacking energy: -76.922
Base-Backbone interact. energy: -1.131
local terms energy: -67.027532
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -208.170587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.170587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.170587 (E_RNA)
where:
Base-Base interactions energy: -132.145
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.297
local terms energy: -75.727806
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -23.129
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: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -198.798572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.798572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.798572 (E_RNA)
where:
Base-Base interactions energy: -125.297
where: short stacking energy: -62.720
Base-Backbone interact. energy: -1.471
local terms energy: -72.030497
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -171.454101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.454101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.454101 (E_RNA)
where:
Base-Base interactions energy: -104.605
where: short stacking energy: -47.637
Base-Backbone interact. energy: -0.273
local terms energy: -66.576267
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -99.239930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.239930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.239930 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.800
local terms energy: -56.076174
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -9.322
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: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -90.690648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690648 (E_RNA)
where:
Base-Base interactions energy: -39.784
where: short stacking energy: -31.813
Base-Backbone interact. energy: -1.451
local terms energy: -49.455686
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -88.372124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.372124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.372124 (E_RNA)
where:
Base-Base interactions energy: -36.143
where: short stacking energy: -20.197
Base-Backbone interact. energy: -0.657
local terms energy: -51.572314
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -97.168969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.168969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.168969 (E_RNA)
where:
Base-Base interactions energy: -42.972
where: short stacking energy: -24.908
Base-Backbone interact. energy: -0.164
local terms energy: -54.032758
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -232.210797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.210797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.210797 (E_RNA)
where:
Base-Base interactions energy: -158.700
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.335
local terms energy: -73.175341
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -14.607
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: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -243.162937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.162937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.162937 (E_RNA)
where:
Base-Base interactions energy: -163.958
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.686
local terms energy: -78.519080
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -14.394
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: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -206.067324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.067324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.067324 (E_RNA)
where:
Base-Base interactions energy: -133.510
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.054
local terms energy: -72.503561
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -20.339
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: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -205.980485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.980485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.980485 (E_RNA)
where:
Base-Base interactions energy: -124.328
where: short stacking energy: -63.703
Base-Backbone interact. energy: 0.189
local terms energy: -81.841734
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -192.256237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.256237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.256237 (E_RNA)
where:
Base-Base interactions energy: -121.156
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.590
local terms energy: -70.510101
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -7.974
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: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -200.190395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.190395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.190395 (E_RNA)
where:
Base-Base interactions energy: -131.836
where: short stacking energy: -58.504
Base-Backbone interact. energy: -0.718
local terms energy: -67.636307
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -12.618
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: 132
Temperature: 1.200000
Total energy: -122.527857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.527857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.527857 (E_RNA)
where:
Base-Base interactions energy: -60.085
where: short stacking energy: -30.953
Base-Backbone interact. energy: -0.024
local terms energy: -62.418422
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -10.610
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: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -101.769481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.769481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.769481 (E_RNA)
where:
Base-Base interactions energy: -41.644
where: short stacking energy: -36.927
Base-Backbone interact. energy: -1.534
local terms energy: -58.590823
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -10.817
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: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -86.186804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.186804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.186804 (E_RNA)
where:
Base-Base interactions energy: -28.061
where: short stacking energy: -24.709
Base-Backbone interact. energy: -2.049
local terms energy: -56.076525
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -93.095130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.095130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.095130 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -27.918
Base-Backbone interact. energy: -0.174
local terms energy: -55.496521
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -232.963688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.963688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.963688 (E_RNA)
where:
Base-Base interactions energy: -160.402
where: short stacking energy: -65.786
Base-Backbone interact. energy: -1.550
local terms energy: -71.011847
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -243.873674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.873674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.873674 (E_RNA)
where:
Base-Base interactions energy: -166.558
where: short stacking energy: -65.011
Base-Backbone interact. energy: -0.334
local terms energy: -76.980717
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -194.321847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.321847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.321847 (E_RNA)
where:
Base-Base interactions energy: -122.597
where: short stacking energy: -61.379
Base-Backbone interact. energy: 0.383
local terms energy: -72.107904
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -189.474192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.474192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.474192 (E_RNA)
where:
Base-Base interactions energy: -120.491
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.013
local terms energy: -68.969927
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -205.981266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.981266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.981266 (E_RNA)
where:
Base-Base interactions energy: -135.363
where: short stacking energy: -65.873
Base-Backbone interact. energy: -0.232
local terms energy: -70.385957
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -176.552632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.552632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.552632 (E_RNA)
where:
Base-Base interactions energy: -118.428
where: short stacking energy: -55.491
Base-Backbone interact. energy: 0.408
local terms energy: -58.532722
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -94.986440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.986440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.986440 (E_RNA)
where:
Base-Base interactions energy: -48.610
where: short stacking energy: -31.075
Base-Backbone interact. energy: -0.106
local terms energy: -46.270870
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -91.947437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.947437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.947437 (E_RNA)
where:
Base-Base interactions energy: -38.686
where: short stacking energy: -34.639
Base-Backbone interact. energy: 0.318
local terms energy: -53.579467
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -12.778
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: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -89.451377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.451377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.451377 (E_RNA)
where:
Base-Base interactions energy: -42.045
where: short stacking energy: -42.045
Base-Backbone interact. energy: -0.366
local terms energy: -47.040698
where:
bonds (distance) C4'-P energy: -2.030
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -96.099410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.099410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.099410 (E_RNA)
where:
Base-Base interactions energy: -40.810
where: short stacking energy: -36.079
Base-Backbone interact. energy: 0.093
local terms energy: -55.382694
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -241.641548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.641548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.641548 (E_RNA)
where:
Base-Base interactions energy: -159.494
where: short stacking energy: -62.740
Base-Backbone interact. energy: -0.344
local terms energy: -81.803547
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -229.924471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.924471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.924471 (E_RNA)
where:
Base-Base interactions energy: -157.218
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.469
local terms energy: -72.237561
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -195.225251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.225251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.225251 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -59.960
Base-Backbone interact. energy: 0.026
local terms energy: -64.221201
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -202.046704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.046704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.046704 (E_RNA)
where:
Base-Base interactions energy: -133.014
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.152
local terms energy: -68.880618
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -206.524241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.524241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.524241 (E_RNA)
where:
Base-Base interactions energy: -128.263
where: short stacking energy: -69.844
Base-Backbone interact. energy: -0.993
local terms energy: -77.267433
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -9.466
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: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -182.580528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.580528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.580528 (E_RNA)
where:
Base-Base interactions energy: -114.135
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.481
local terms energy: -67.964659
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.189
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: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -100.275130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275130 (E_RNA)
where:
Base-Base interactions energy: -39.845
where: short stacking energy: -37.946
Base-Backbone interact. energy: -0.029
local terms energy: -60.400539
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -9.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -87.100133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.100133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.100133 (E_RNA)
where:
Base-Base interactions energy: -23.585
where: short stacking energy: -23.585
Base-Backbone interact. energy: -0.308
local terms energy: -63.206977
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -85.131476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.131476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.131476 (E_RNA)
where:
Base-Base interactions energy: -25.733
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.107
local terms energy: -59.291417
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -81.795292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.795292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.795292 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -22.764
Base-Backbone interact. energy: -0.086
local terms energy: -52.315626
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: 3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -262.707816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.707816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.707816 (E_RNA)
where:
Base-Base interactions energy: -198.547
where: short stacking energy: -62.590
Base-Backbone interact. energy: -1.045
local terms energy: -63.115114
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -11.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -218.892692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.892692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.892692 (E_RNA)
where:
Base-Base interactions energy: -137.366
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.590
local terms energy: -80.937041
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -221.458240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.458240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.458240 (E_RNA)
where:
Base-Base interactions energy: -146.182
where: short stacking energy: -61.599
Base-Backbone interact. energy: -0.427
local terms energy: -74.849598
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -207.790716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.790716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.790716 (E_RNA)
where:
Base-Base interactions energy: -120.832
where: short stacking energy: -74.769
Base-Backbone interact. energy: -0.554
local terms energy: -86.404613
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -11.585
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: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -198.381556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.381556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.381556 (E_RNA)
where:
Base-Base interactions energy: -124.295
where: short stacking energy: -67.740
Base-Backbone interact. energy: -0.648
local terms energy: -73.438502
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -179.564569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.564569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.564569 (E_RNA)
where:
Base-Base interactions energy: -112.709
where: short stacking energy: -51.222
Base-Backbone interact. energy: -0.152
local terms energy: -66.702891
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -103.648901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.648901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.648901 (E_RNA)
where:
Base-Base interactions energy: -48.686
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.002
local terms energy: -54.961113
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -9.097
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: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -98.243581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.243581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.243581 (E_RNA)
where:
Base-Base interactions energy: -48.542
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.198
local terms energy: -49.503761
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -93.493895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.493895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.493895 (E_RNA)
where:
Base-Base interactions energy: -42.988
where: short stacking energy: -35.447
Base-Backbone interact. energy: -0.167
local terms energy: -50.339310
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -79.425781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.425781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.425781 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -35.674
Base-Backbone interact. energy: 0.125
local terms energy: -44.276207
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -7.488
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: 0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -268.388196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.388196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.388196 (E_RNA)
where:
Base-Base interactions energy: -190.247
where: short stacking energy: -59.744
Base-Backbone interact. energy: -1.268
local terms energy: -76.873026
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -223.290524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.290524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.290524 (E_RNA)
where:
Base-Base interactions energy: -137.796
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.192
local terms energy: -85.303294
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -13.494
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: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -228.658151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.658151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.658151 (E_RNA)
where:
Base-Base interactions energy: -152.212
where: short stacking energy: -57.001
Base-Backbone interact. energy: -0.914
local terms energy: -75.532036
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -208.794367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.794367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.794367 (E_RNA)
where:
Base-Base interactions energy: -133.222
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.168
local terms energy: -75.404476
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -12.778
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: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -177.461891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.461891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.461891 (E_RNA)
where:
Base-Base interactions energy: -106.685
where: short stacking energy: -55.735
Base-Backbone interact. energy: 0.356
local terms energy: -71.132197
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -14.866
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: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -171.110336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.110336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.110336 (E_RNA)
where:
Base-Base interactions energy: -114.040
where: short stacking energy: -45.387
Base-Backbone interact. energy: -0.470
local terms energy: -56.600493
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -105.068646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.068646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.068646 (E_RNA)
where:
Base-Base interactions energy: -43.506
where: short stacking energy: -43.506
Base-Backbone interact. energy: -0.035
local terms energy: -61.527520
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -10.746
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: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -90.478798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.478798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.478798 (E_RNA)
where:
Base-Base interactions energy: -40.558
where: short stacking energy: -30.062
Base-Backbone interact. energy: -0.151
local terms energy: -49.769478
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -7.978
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: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -95.769677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.769677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.769677 (E_RNA)
where:
Base-Base interactions energy: -45.856
where: short stacking energy: -36.579
Base-Backbone interact. energy: -0.106
local terms energy: -49.807588
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -5.826
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: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -82.878648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.878648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.878648 (E_RNA)
where:
Base-Base interactions energy: -27.214
where: short stacking energy: -21.438
Base-Backbone interact. energy: 0.744
local terms energy: -56.407811
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -256.669193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.669193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.669193 (E_RNA)
where:
Base-Base interactions energy: -188.579
where: short stacking energy: -64.891
Base-Backbone interact. energy: -0.166
local terms energy: -67.924890
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -240.112146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.112146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.112146 (E_RNA)
where:
Base-Base interactions energy: -172.756
where: short stacking energy: -74.170
Base-Backbone interact. energy: -0.957
local terms energy: -66.398754
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -12.570
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: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -225.844403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.844403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.844403 (E_RNA)
where:
Base-Base interactions energy: -138.166
where: short stacking energy: -75.382
Base-Backbone interact. energy: -0.998
local terms energy: -86.679480
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -25.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -214.799590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.799590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.799590 (E_RNA)
where:
Base-Base interactions energy: -136.609
where: short stacking energy: -71.602
Base-Backbone interact. energy: -0.144
local terms energy: -78.045974
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -179.083264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.083264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.083264 (E_RNA)
where:
Base-Base interactions energy: -115.655
where: short stacking energy: -54.829
Base-Backbone interact. energy: -0.108
local terms energy: -63.320118
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -169.513154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.513154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.513154 (E_RNA)
where:
Base-Base interactions energy: -107.507
where: short stacking energy: -62.623
Base-Backbone interact. energy: -0.372
local terms energy: -61.634685
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -93.875566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.875566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.875566 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -40.461
Base-Backbone interact. energy: -0.146
local terms energy: -53.268293
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -86.487989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.487989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.487989 (E_RNA)
where:
Base-Base interactions energy: -36.520
where: short stacking energy: -19.973
Base-Backbone interact. energy: -0.096
local terms energy: -49.871926
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -7.983
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: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -91.538696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.538696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.538696 (E_RNA)
where:
Base-Base interactions energy: -42.555
where: short stacking energy: -28.833
Base-Backbone interact. energy: 0.284
local terms energy: -49.267758
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -76.327282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.327282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.327282 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.393
local terms energy: -48.022417
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -258.818486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.818486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.818486 (E_RNA)
where:
Base-Base interactions energy: -193.341
where: short stacking energy: -64.047
Base-Backbone interact. energy: -1.161
local terms energy: -64.316779
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -244.100904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.100904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.100904 (E_RNA)
where:
Base-Base interactions energy: -172.815
where: short stacking energy: -69.567
Base-Backbone interact. energy: -0.762
local terms energy: -70.524239
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -211.690860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.690860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.690860 (E_RNA)
where:
Base-Base interactions energy: -134.298
where: short stacking energy: -78.180
Base-Backbone interact. energy: 0.657
local terms energy: -78.050803
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -24.311
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: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -200.810592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.810592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.810592 (E_RNA)
where:
Base-Base interactions energy: -126.451
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.864
local terms energy: -73.495570
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -165.080937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.080937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.080937 (E_RNA)
where:
Base-Base interactions energy: -94.913
where: short stacking energy: -56.802
Base-Backbone interact. energy: -0.040
local terms energy: -70.127716
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -179.466391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.466391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.466391 (E_RNA)
where:
Base-Base interactions energy: -111.543
where: short stacking energy: -51.671
Base-Backbone interact. energy: -0.439
local terms energy: -67.484586
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -92.929006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.929006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.929006 (E_RNA)
where:
Base-Base interactions energy: -31.961
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.323
local terms energy: -60.645749
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -86.303258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.303258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.303258 (E_RNA)
where:
Base-Base interactions energy: -30.608
where: short stacking energy: -26.714
Base-Backbone interact. energy: -0.396
local terms energy: -55.299014
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -9.096
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: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -88.749483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.749483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.749483 (E_RNA)
where:
Base-Base interactions energy: -36.945
where: short stacking energy: -33.634
Base-Backbone interact. energy: -0.094
local terms energy: -51.710916
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -4.809
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: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -81.057659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.057659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.057659 (E_RNA)
where:
Base-Base interactions energy: -25.652
where: short stacking energy: -24.420
Base-Backbone interact. energy: 0.344
local terms energy: -55.749698
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: 0.901
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: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -265.139442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.139442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.139442 (E_RNA)
where:
Base-Base interactions energy: -196.245
where: short stacking energy: -68.082
Base-Backbone interact. energy: -0.573
local terms energy: -68.321106
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -15.723
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: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -232.121055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.121055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.121055 (E_RNA)
where:
Base-Base interactions energy: -141.145
where: short stacking energy: -77.821
Base-Backbone interact. energy: -0.280
local terms energy: -90.696447
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -24.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -245.202089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.202089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.202089 (E_RNA)
where:
Base-Base interactions energy: -167.462
where: short stacking energy: -64.419
Base-Backbone interact. energy: -1.153
local terms energy: -76.587807
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -203.842365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.842365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.842365 (E_RNA)
where:
Base-Base interactions energy: -127.430
where: short stacking energy: -65.185
Base-Backbone interact. energy: -0.081
local terms energy: -76.331054
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -180.070887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.070887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.070887 (E_RNA)
where:
Base-Base interactions energy: -115.474
where: short stacking energy: -55.564
Base-Backbone interact. energy: -0.401
local terms energy: -64.195463
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -173.670743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.670743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.670743 (E_RNA)
where:
Base-Base interactions energy: -110.360
where: short stacking energy: -51.696
Base-Backbone interact. energy: -0.451
local terms energy: -62.859787
where:
bonds (distance) C4'-P energy: -5.962
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -13.487
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: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -101.216867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.216867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.216867 (E_RNA)
where:
Base-Base interactions energy: -51.093
where: short stacking energy: -37.709
Base-Backbone interact. energy: -0.111
local terms energy: -50.013228
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -1.683
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -88.422047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.422047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.422047 (E_RNA)
where:
Base-Base interactions energy: -30.228
where: short stacking energy: -23.191
Base-Backbone interact. energy: 0.139
local terms energy: -58.333807
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -6.693
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -90.153774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.153774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.153774 (E_RNA)
where:
Base-Base interactions energy: -38.170
where: short stacking energy: -34.872
Base-Backbone interact. energy: -0.135
local terms energy: -51.848816
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -8.069
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: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -97.833035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.833035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.833035 (E_RNA)
where:
Base-Base interactions energy: -48.049
where: short stacking energy: -45.486
Base-Backbone interact. energy: 0.141
local terms energy: -49.925751
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -6.267
flat angles P-C4'-P energy: -2.652
tors. eta vs tors. theta energy: -11.624
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: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -250.660740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.660740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.660740 (E_RNA)
where:
Base-Base interactions energy: -167.650
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.228
local terms energy: -82.782448
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -12.567
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: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -224.733734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.733734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.733734 (E_RNA)
where:
Base-Base interactions energy: -138.706
where: short stacking energy: -78.070
Base-Backbone interact. energy: -0.062
local terms energy: -85.966273
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -246.190297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.190297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.190297 (E_RNA)
where:
Base-Base interactions energy: -179.233
where: short stacking energy: -58.883
Base-Backbone interact. energy: -0.127
local terms energy: -66.829994
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -7.168
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -13.260
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: 140
Temperature: 1.050000
Total energy: -209.382807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.382807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.382807 (E_RNA)
where:
Base-Base interactions energy: -133.560
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.121
local terms energy: -75.701779
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -202.894592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.894592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.894592 (E_RNA)
where:
Base-Base interactions energy: -128.356
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.003
local terms energy: -74.535367
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.983
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: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -156.481328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.481328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.481328 (E_RNA)
where:
Base-Base interactions energy: -88.449
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.025
local terms energy: -68.007368
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -102.350087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.350087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.350087 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -34.571
Base-Backbone interact. energy: -1.100
local terms energy: -65.155280
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -10.491
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: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -88.229696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.229696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.229696 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.224
local terms energy: -49.137261
where:
bonds (distance) C4'-P energy: -5.406
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -99.332681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.332681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.332681 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -34.474
Base-Backbone interact. energy: -0.086
local terms energy: -59.481437
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -83.758766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.758766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.758766 (E_RNA)
where:
Base-Base interactions energy: -23.677
where: short stacking energy: -20.116
Base-Backbone interact. energy: -0.223
local terms energy: -59.858233
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -254.306045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.306045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.306045 (E_RNA)
where:
Base-Base interactions energy: -177.496
where: short stacking energy: -73.445
Base-Backbone interact. energy: -0.101
local terms energy: -76.709162
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -14.721
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: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -247.195579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.195579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.195579 (E_RNA)
where:
Base-Base interactions energy: -178.229
where: short stacking energy: -70.905
Base-Backbone interact. energy: -0.576
local terms energy: -68.391082
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -224.394464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.394464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.394464 (E_RNA)
where:
Base-Base interactions energy: -143.635
where: short stacking energy: -71.529
Base-Backbone interact. energy: -0.098
local terms energy: -80.661140
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -21.619
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: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -200.594816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.594816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.594816 (E_RNA)
where:
Base-Base interactions energy: -122.988
where: short stacking energy: -56.426
Base-Backbone interact. energy: -0.965
local terms energy: -76.641787
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -197.000233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.000233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.000233 (E_RNA)
where:
Base-Base interactions energy: -126.830
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.664
local terms energy: -69.506574
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -14.393
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: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -164.577085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.577085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.577085 (E_RNA)
where:
Base-Base interactions energy: -96.759
where: short stacking energy: -46.674
Base-Backbone interact. energy: 0.003
local terms energy: -67.820992
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -114.810347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.810347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.810347 (E_RNA)
where:
Base-Base interactions energy: -57.482
where: short stacking energy: -28.433
Base-Backbone interact. energy: -1.114
local terms energy: -56.214521
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.126
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: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -86.417437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.417437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.417437 (E_RNA)
where:
Base-Base interactions energy: -30.546
where: short stacking energy: -30.546
Base-Backbone interact. energy: -0.120
local terms energy: -55.751964
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -106.969507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.969507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.969507 (E_RNA)
where:
Base-Base interactions energy: -46.155
where: short stacking energy: -45.105
Base-Backbone interact. energy: -0.283
local terms energy: -60.530974
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -9.177
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: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -79.481391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.481391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.481391 (E_RNA)
where:
Base-Base interactions energy: -32.721
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.160
local terms energy: -46.600448
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -6.764
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -253.924383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.924383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.924383 (E_RNA)
where:
Base-Base interactions energy: -174.452
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.695
local terms energy: -78.777347
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -245.586092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.586092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.586092 (E_RNA)
where:
Base-Base interactions energy: -172.470
where: short stacking energy: -67.202
Base-Backbone interact. energy: -0.232
local terms energy: -72.884117
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -217.597836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.597836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.597836 (E_RNA)
where:
Base-Base interactions energy: -135.806
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.419
local terms energy: -81.372755
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -17.597
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: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -236.920026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.920026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.920026 (E_RNA)
where:
Base-Base interactions energy: -148.793
where: short stacking energy: -81.492
Base-Backbone interact. energy: -0.493
local terms energy: -87.634465
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -25.506
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: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -188.522531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.522531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.522531 (E_RNA)
where:
Base-Base interactions energy: -116.266
where: short stacking energy: -55.446
Base-Backbone interact. energy: -0.282
local terms energy: -71.974835
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -165.760051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.760051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.760051 (E_RNA)
where:
Base-Base interactions energy: -95.250
where: short stacking energy: -49.107
Base-Backbone interact. energy: -0.154
local terms energy: -70.356646
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -155.288621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.288621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.288621 (E_RNA)
where:
Base-Base interactions energy: -95.190
where: short stacking energy: -41.618
Base-Backbone interact. energy: -1.443
local terms energy: -58.656349
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.296
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: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -90.907122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.907122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.907122 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -37.517
Base-Backbone interact. energy: 0.517
local terms energy: -47.962265
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -91.685686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.685686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.685686 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -28.708
Base-Backbone interact. energy: -0.453
local terms energy: -52.618976
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -103.638216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.638216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.638216 (E_RNA)
where:
Base-Base interactions energy: -48.125
where: short stacking energy: -40.047
Base-Backbone interact. energy: -0.036
local terms energy: -55.477331
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -1.904
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: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -251.641852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.641852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.641852 (E_RNA)
where:
Base-Base interactions energy: -179.184
where: short stacking energy: -73.190
Base-Backbone interact. energy: -0.788
local terms energy: -71.670232
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -243.450987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.450987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.450987 (E_RNA)
where:
Base-Base interactions energy: -165.064
where: short stacking energy: -71.798
Base-Backbone interact. energy: -0.258
local terms energy: -78.128821
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -203.797208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.797208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.797208 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -63.899
Base-Backbone interact. energy: -0.068
local terms energy: -78.358289
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -9.978
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: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -220.054709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.054709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.054709 (E_RNA)
where:
Base-Base interactions energy: -140.129
where: short stacking energy: -79.101
Base-Backbone interact. energy: -0.075
local terms energy: -79.850051
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -23.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -200.350443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.350443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.350443 (E_RNA)
where:
Base-Base interactions energy: -128.439
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.101
local terms energy: -71.810175
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.603
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: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -148.298036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.298036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.298036 (E_RNA)
where:
Base-Base interactions energy: -89.549
where: short stacking energy: -52.559
Base-Backbone interact. energy: -0.090
local terms energy: -58.659346
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -144.657274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.657274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.657274 (E_RNA)
where:
Base-Base interactions energy: -81.221
where: short stacking energy: -45.807
Base-Backbone interact. energy: 0.746
local terms energy: -64.181680
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -88.951408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.951408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.951408 (E_RNA)
where:
Base-Base interactions energy: -38.273
where: short stacking energy: -22.359
Base-Backbone interact. energy: 1.745
local terms energy: -52.423775
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -82.798418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798418 (E_RNA)
where:
Base-Base interactions energy: -22.471
where: short stacking energy: -21.834
Base-Backbone interact. energy: -0.239
local terms energy: -60.087853
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -1.363
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: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -83.586979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.586979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.586979 (E_RNA)
where:
Base-Base interactions energy: -30.633
where: short stacking energy: -30.528
Base-Backbone interact. energy: -0.155
local terms energy: -52.798559
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -243.604616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.604616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.604616 (E_RNA)
where:
Base-Base interactions energy: -174.154
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.033
local terms energy: -69.417286
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -242.927400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.927400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.927400 (E_RNA)
where:
Base-Base interactions energy: -170.448
where: short stacking energy: -59.397
Base-Backbone interact. energy: -0.486
local terms energy: -71.993860
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -204.461667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.461667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.461667 (E_RNA)
where:
Base-Base interactions energy: -132.565
where: short stacking energy: -61.200
Base-Backbone interact. energy: -0.063
local terms energy: -71.834551
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -192.325706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.325706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.325706 (E_RNA)
where:
Base-Base interactions energy: -124.548
where: short stacking energy: -58.661
Base-Backbone interact. energy: -0.029
local terms energy: -67.748562
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -166.187579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.187579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.187579 (E_RNA)
where:
Base-Base interactions energy: -104.685
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.186
local terms energy: -61.316383
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -195.723626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.723626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.723626 (E_RNA)
where:
Base-Base interactions energy: -124.529
where: short stacking energy: -66.268
Base-Backbone interact. energy: -0.016
local terms energy: -71.178847
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -15.702
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: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -163.494056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.494056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.494056 (E_RNA)
where:
Base-Base interactions energy: -100.817
where: short stacking energy: -43.507
Base-Backbone interact. energy: -0.837
local terms energy: -61.840408
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -107.529105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.529105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.529105 (E_RNA)
where:
Base-Base interactions energy: -51.957
where: short stacking energy: -37.942
Base-Backbone interact. energy: 0.063
local terms energy: -55.635190
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -83.240872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.240872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.240872 (E_RNA)
where:
Base-Base interactions energy: -32.959
where: short stacking energy: -32.192
Base-Backbone interact. energy: -0.291
local terms energy: -49.990327
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -6.603
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -76.763989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.763989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.763989 (E_RNA)
where:
Base-Base interactions energy: -30.528
where: short stacking energy: -17.126
Base-Backbone interact. energy: -0.184
local terms energy: -46.052039
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: 6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -245.351474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.351474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.351474 (E_RNA)
where:
Base-Base interactions energy: -166.646
where: short stacking energy: -60.371
Base-Backbone interact. energy: -1.210
local terms energy: -77.494957
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -233.134063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.134063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.134063 (E_RNA)
where:
Base-Base interactions energy: -164.737
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.136
local terms energy: -68.260964
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.568
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: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -223.304264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.304264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.304264 (E_RNA)
where:
Base-Base interactions energy: -142.371
where: short stacking energy: -77.563
Base-Backbone interact. energy: -0.056
local terms energy: -80.876610
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -9.230
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: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -188.854288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.854288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.854288 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -68.140
Base-Backbone interact. energy: -0.034
local terms energy: -68.189817
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -16.135
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: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -162.811950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.811950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.811950 (E_RNA)
where:
Base-Base interactions energy: -94.118
where: short stacking energy: -52.186
Base-Backbone interact. energy: -0.132
local terms energy: -68.561500
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -12.785
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: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -175.244497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.244497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.244497 (E_RNA)
where:
Base-Base interactions energy: -108.430
where: short stacking energy: -59.194
Base-Backbone interact. energy: -0.303
local terms energy: -66.511229
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -190.862129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.862129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.862129 (E_RNA)
where:
Base-Base interactions energy: -119.752
where: short stacking energy: -53.390
Base-Backbone interact. energy: -0.923
local terms energy: -70.186857
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -9.909
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: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -88.312466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.312466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.312466 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -23.724
Base-Backbone interact. energy: -0.087
local terms energy: -56.428779
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -99.996811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.996811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.996811 (E_RNA)
where:
Base-Base interactions energy: -46.124
where: short stacking energy: -34.469
Base-Backbone interact. energy: -0.287
local terms energy: -53.586134
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -4.189
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: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -76.160455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.160455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.160455 (E_RNA)
where:
Base-Base interactions energy: -25.112
where: short stacking energy: -20.383
Base-Backbone interact. energy: -0.213
local terms energy: -50.835364
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -241.956141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.956141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.956141 (E_RNA)
where:
Base-Base interactions energy: -170.370
where: short stacking energy: -75.635
Base-Backbone interact. energy: -0.880
local terms energy: -70.706712
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -242.640076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.640076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.640076 (E_RNA)
where:
Base-Base interactions energy: -166.985
where: short stacking energy: -75.729
Base-Backbone interact. energy: -0.096
local terms energy: -75.558953
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -10.882
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: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -224.361941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.361941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.361941 (E_RNA)
where:
Base-Base interactions energy: -138.985
where: short stacking energy: -65.154
Base-Backbone interact. energy: -0.170
local terms energy: -85.207594
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -12.764
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: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -198.128208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.128208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.128208 (E_RNA)
where:
Base-Base interactions energy: -122.930
where: short stacking energy: -66.819
Base-Backbone interact. energy: 0.198
local terms energy: -75.396041
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -10.093
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: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -168.668198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.668198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.668198 (E_RNA)
where:
Base-Base interactions energy: -102.463
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.147
local terms energy: -66.058017
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -163.725681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.725681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.725681 (E_RNA)
where:
Base-Base interactions energy: -98.796
where: short stacking energy: -48.299
Base-Backbone interact. energy: -0.219
local terms energy: -64.709923
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -181.664511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.664511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.664511 (E_RNA)
where:
Base-Base interactions energy: -116.799
where: short stacking energy: -56.618
Base-Backbone interact. energy: -0.016
local terms energy: -64.849557
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -92.370777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.370777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.370777 (E_RNA)
where:
Base-Base interactions energy: -30.726
where: short stacking energy: -31.158
Base-Backbone interact. energy: -0.223
local terms energy: -61.421163
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -89.855604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.855604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.855604 (E_RNA)
where:
Base-Base interactions energy: -46.170
where: short stacking energy: -32.096
Base-Backbone interact. energy: 1.467
local terms energy: -45.152842
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -7.175
flat angles P-C4'-P energy: -7.776
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: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -78.435812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.435812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.435812 (E_RNA)
where:
Base-Base interactions energy: -29.014
where: short stacking energy: -11.840
Base-Backbone interact. energy: -0.708
local terms energy: -48.713401
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: 2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -232.914862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.914862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.914862 (E_RNA)
where:
Base-Base interactions energy: -156.062
where: short stacking energy: -60.146
Base-Backbone interact. energy: 2.122
local terms energy: -78.975199
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -209.783518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.783518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.783518 (E_RNA)
where:
Base-Base interactions energy: -131.186
where: short stacking energy: -67.032
Base-Backbone interact. energy: -0.294
local terms energy: -78.303272
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -19.687
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: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -234.933388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.933388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.933388 (E_RNA)
where:
Base-Base interactions energy: -154.922
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.179
local terms energy: -79.832184
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -194.431041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.431041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.431041 (E_RNA)
where:
Base-Base interactions energy: -117.669
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.004
local terms energy: -76.757354
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.195
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: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -195.612426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.612426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.612426 (E_RNA)
where:
Base-Base interactions energy: -124.905
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.034
local terms energy: -70.673804
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -200.772159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.772159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.772159 (E_RNA)
where:
Base-Base interactions energy: -121.454
where: short stacking energy: -67.031
Base-Backbone interact. energy: -0.007
local terms energy: -79.310682
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -124.067061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.067061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.067061 (E_RNA)
where:
Base-Base interactions energy: -78.005
where: short stacking energy: -46.755
Base-Backbone interact. energy: -0.264
local terms energy: -45.797386
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -1.015
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -94.858743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.858743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.858743 (E_RNA)
where:
Base-Base interactions energy: -38.651
where: short stacking energy: -23.713
Base-Backbone interact. energy: 0.632
local terms energy: -56.839751
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: 0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -94.289622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.289622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.289622 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -26.528
Base-Backbone interact. energy: 4.004
local terms energy: -55.309938
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -76.462273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.462273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.462273 (E_RNA)
where:
Base-Base interactions energy: -23.847
where: short stacking energy: -23.847
Base-Backbone interact. energy: -0.796
local terms energy: -51.818843
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: 2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -228.154335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.154335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.154335 (E_RNA)
where:
Base-Base interactions energy: -148.721
where: short stacking energy: -61.649
Base-Backbone interact. energy: -0.855
local terms energy: -78.578632
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -231.270779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.270779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.270779 (E_RNA)
where:
Base-Base interactions energy: -145.553
where: short stacking energy: -80.309
Base-Backbone interact. energy: -0.153
local terms energy: -85.564435
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -23.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -239.288278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.288278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.288278 (E_RNA)
where:
Base-Base interactions energy: -166.688
where: short stacking energy: -63.025
Base-Backbone interact. energy: 2.260
local terms energy: -74.860031
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -192.359467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.359467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.359467 (E_RNA)
where:
Base-Base interactions energy: -115.963
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.087
local terms energy: -76.309111
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -193.253209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.253209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.253209 (E_RNA)
where:
Base-Base interactions energy: -118.811
where: short stacking energy: -54.982
Base-Backbone interact. energy: -0.311
local terms energy: -74.131453
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -158.972459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.972459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.972459 (E_RNA)
where:
Base-Base interactions energy: -93.457
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.311
local terms energy: -65.204497
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -157.723508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.723508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.723508 (E_RNA)
where:
Base-Base interactions energy: -94.429
where: short stacking energy: -42.533
Base-Backbone interact. energy: -0.083
local terms energy: -63.210986
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -96.711753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.711753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.711753 (E_RNA)
where:
Base-Base interactions energy: -34.198
where: short stacking energy: -23.746
Base-Backbone interact. energy: -0.074
local terms energy: -62.439594
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -6.604
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: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -88.917402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.917402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.917402 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -26.276
Base-Backbone interact. energy: -1.600
local terms energy: -56.791089
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -1.225
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: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -82.898395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.898395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.898395 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -15.330
Base-Backbone interact. energy: 0.160
local terms energy: -42.384232
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: 1.193
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: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -234.740352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.740352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.740352 (E_RNA)
where:
Base-Base interactions energy: -151.367
where: short stacking energy: -67.020
Base-Backbone interact. energy: -0.657
local terms energy: -82.716989
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -248.119703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.119703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.119703 (E_RNA)
where:
Base-Base interactions energy: -177.622
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.304
local terms energy: -70.193676
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -221.834307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.834307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.834307 (E_RNA)
where:
Base-Base interactions energy: -146.326
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.110
local terms energy: -75.397632
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -196.842782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.842782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.842782 (E_RNA)
where:
Base-Base interactions energy: -123.140
where: short stacking energy: -70.927
Base-Backbone interact. energy: 2.558
local terms energy: -76.260799
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -19.536
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: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -196.036701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.036701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.036701 (E_RNA)
where:
Base-Base interactions energy: -123.995
where: short stacking energy: -56.934
Base-Backbone interact. energy: 0.377
local terms energy: -72.418646
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -183.757647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.757647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.757647 (E_RNA)
where:
Base-Base interactions energy: -108.352
where: short stacking energy: -63.000
Base-Backbone interact. energy: -0.726
local terms energy: -74.679684
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -151.446497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.446497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.446497 (E_RNA)
where:
Base-Base interactions energy: -84.523
where: short stacking energy: -43.119
Base-Backbone interact. energy: -1.157
local terms energy: -65.766883
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -95.662839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.662839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.662839 (E_RNA)
where:
Base-Base interactions energy: -38.810
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.212
local terms energy: -56.640783
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -103.202406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.202406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.202406 (E_RNA)
where:
Base-Base interactions energy: -49.116
where: short stacking energy: -36.722
Base-Backbone interact. energy: -0.098
local terms energy: -53.987735
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -82.098095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.098095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.098095 (E_RNA)
where:
Base-Base interactions energy: -25.115
where: short stacking energy: -25.115
Base-Backbone interact. energy: -0.376
local terms energy: -56.607623
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -259.505325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.505325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.505325 (E_RNA)
where:
Base-Base interactions energy: -186.802
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.410
local terms energy: -72.293565
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -237.239931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.239931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.239931 (E_RNA)
where:
Base-Base interactions energy: -163.618
where: short stacking energy: -62.768
Base-Backbone interact. energy: 1.816
local terms energy: -75.437708
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -197.447554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.447554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.447554 (E_RNA)
where:
Base-Base interactions energy: -130.407
where: short stacking energy: -63.857
Base-Backbone interact. energy: -0.009
local terms energy: -67.031315
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -208.803558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.803558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.803558 (E_RNA)
where:
Base-Base interactions energy: -127.761
where: short stacking energy: -72.996
Base-Backbone interact. energy: -0.001
local terms energy: -81.041309
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -22.327
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: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -199.466628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.466628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.466628 (E_RNA)
where:
Base-Base interactions energy: -131.272
where: short stacking energy: -71.127
Base-Backbone interact. energy: 0.675
local terms energy: -68.869906
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -20.298
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: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -196.393616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.393616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.393616 (E_RNA)
where:
Base-Base interactions energy: -121.670
where: short stacking energy: -58.224
Base-Backbone interact. energy: -1.922
local terms energy: -72.801806
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -104.680349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.680349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.680349 (E_RNA)
where:
Base-Base interactions energy: -46.358
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.188
local terms energy: -58.134621
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -92.202206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.202206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.202206 (E_RNA)
where:
Base-Base interactions energy: -50.375
where: short stacking energy: -14.874
Base-Backbone interact. energy: 0.063
local terms energy: -41.890213
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: 3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -92.296504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.296504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.296504 (E_RNA)
where:
Base-Base interactions energy: -38.936
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.234
local terms energy: -53.127123
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.959
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: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -81.899106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.899106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.899106 (E_RNA)
where:
Base-Base interactions energy: -33.604
where: short stacking energy: -28.736
Base-Backbone interact. energy: -0.042
local terms energy: -48.252613
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: 3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -255.396181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.396181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.396181 (E_RNA)
where:
Base-Base interactions energy: -179.436
where: short stacking energy: -57.703
Base-Backbone interact. energy: -2.029
local terms energy: -73.931926
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -238.855612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.855612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.855612 (E_RNA)
where:
Base-Base interactions energy: -159.043
where: short stacking energy: -67.764
Base-Backbone interact. energy: -1.009
local terms energy: -78.804172
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -15.730
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: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -210.436877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.436877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.436877 (E_RNA)
where:
Base-Base interactions energy: -130.317
where: short stacking energy: -67.201
Base-Backbone interact. energy: -0.648
local terms energy: -79.472402
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -10.372
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: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -210.339677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.339677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.339677 (E_RNA)
where:
Base-Base interactions energy: -133.664
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.381
local terms energy: -76.294065
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -206.511448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.511448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.511448 (E_RNA)
where:
Base-Base interactions energy: -133.190
where: short stacking energy: -63.043
Base-Backbone interact. energy: -0.003
local terms energy: -73.318670
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -189.145296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.145296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.145296 (E_RNA)
where:
Base-Base interactions energy: -118.824
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.002
local terms energy: -70.318499
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -14.723
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: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -103.163106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.163106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.163106 (E_RNA)
where:
Base-Base interactions energy: -51.340
where: short stacking energy: -45.114
Base-Backbone interact. energy: -0.017
local terms energy: -51.805788
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -95.253738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.253738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.253738 (E_RNA)
where:
Base-Base interactions energy: -47.300
where: short stacking energy: -26.094
Base-Backbone interact. energy: -0.171
local terms energy: -47.783010
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -94.967928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.967928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.967928 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -33.975
Base-Backbone interact. energy: -1.446
local terms energy: -57.016317
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -81.298460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.298460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.298460 (E_RNA)
where:
Base-Base interactions energy: -25.295
where: short stacking energy: -18.582
Base-Backbone interact. energy: -0.696
local terms energy: -55.307415
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: 1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -249.519673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.519673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.519673 (E_RNA)
where:
Base-Base interactions energy: -167.344
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.528
local terms energy: -81.647505
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -248.383850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.383850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.383850 (E_RNA)
where:
Base-Base interactions energy: -180.601
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.506
local terms energy: -67.276648
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -11.262
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: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -223.794454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.794454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.794454 (E_RNA)
where:
Base-Base interactions energy: -136.027
where: short stacking energy: -70.326
Base-Backbone interact. energy: -0.268
local terms energy: -87.499984
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -208.535053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.535053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.535053 (E_RNA)
where:
Base-Base interactions energy: -133.284
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.426
local terms energy: -74.825189
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -204.054325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.054325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.054325 (E_RNA)
where:
Base-Base interactions energy: -123.747
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.571
local terms energy: -79.736048
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -183.060156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.060156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.060156 (E_RNA)
where:
Base-Base interactions energy: -112.477
where: short stacking energy: -58.127
Base-Backbone interact. energy: -0.219
local terms energy: -70.364894
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -10.247
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: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -101.821702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.821702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.821702 (E_RNA)
where:
Base-Base interactions energy: -48.310
where: short stacking energy: -40.296
Base-Backbone interact. energy: -0.368
local terms energy: -53.143963
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -6.957
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: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -87.977135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.977135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.977135 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -27.330
Base-Backbone interact. energy: -0.229
local terms energy: -52.672432
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -80.777469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.777469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.777469 (E_RNA)
where:
Base-Base interactions energy: -35.240
where: short stacking energy: -29.584
Base-Backbone interact. energy: -0.158
local terms energy: -45.378589
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -85.377069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.377069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.377069 (E_RNA)
where:
Base-Base interactions energy: -35.654
where: short stacking energy: -32.109
Base-Backbone interact. energy: 0.175
local terms energy: -49.898911
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -2.511
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: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -238.873531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.873531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.873531 (E_RNA)
where:
Base-Base interactions energy: -157.715
where: short stacking energy: -67.912
Base-Backbone interact. energy: -0.915
local terms energy: -80.243427
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -257.590507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.590507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.590507 (E_RNA)
where:
Base-Base interactions energy: -190.359
where: short stacking energy: -60.455
Base-Backbone interact. energy: -0.546
local terms energy: -66.685956
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -11.744
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: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -212.997962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.997962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.997962 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.037
local terms energy: -82.822026
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -208.270354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.270354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.270354 (E_RNA)
where:
Base-Base interactions energy: -135.044
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.286
local terms energy: -72.939681
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -174.604466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.604466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.604466 (E_RNA)
where:
Base-Base interactions energy: -104.486
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.100
local terms energy: -70.017995
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -19.015
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: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -183.633306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.633306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.633306 (E_RNA)
where:
Base-Base interactions energy: -117.938
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.002
local terms energy: -65.694284
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -86.118689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.118689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.118689 (E_RNA)
where:
Base-Base interactions energy: -27.156
where: short stacking energy: -23.112
Base-Backbone interact. energy: -0.295
local terms energy: -58.667986
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: 1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -92.460342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.460342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.460342 (E_RNA)
where:
Base-Base interactions energy: -33.628
where: short stacking energy: -32.733
Base-Backbone interact. energy: -0.018
local terms energy: -58.814144
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -83.361720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.361720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.361720 (E_RNA)
where:
Base-Base interactions energy: -30.675
where: short stacking energy: -29.535
Base-Backbone interact. energy: -0.147
local terms energy: -52.540154
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -88.808752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.808752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.808752 (E_RNA)
where:
Base-Base interactions energy: -37.494
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.112
local terms energy: -51.202379
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -246.438488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.438488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.438488 (E_RNA)
where:
Base-Base interactions energy: -158.813
where: short stacking energy: -74.549
Base-Backbone interact. energy: -1.170
local terms energy: -86.455118
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -253.436081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.436081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.436081 (E_RNA)
where:
Base-Base interactions energy: -178.956
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.364
local terms energy: -74.115851
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -13.528
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: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -211.413975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.413975 (E_RNA)
where:
Base-Base interactions energy: -132.315
where: short stacking energy: -59.117
Base-Backbone interact. energy: -0.409
local terms energy: -78.690489
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -218.929209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.929209 (E_RNA)
where:
Base-Base interactions energy: -150.194
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.129
local terms energy: -68.605634
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -183.645084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.645084 (E_RNA)
where:
Base-Base interactions energy: -116.104
where: short stacking energy: -53.075
Base-Backbone interact. energy: -1.394
local terms energy: -66.146868
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -178.329075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.329075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.329075 (E_RNA)
where:
Base-Base interactions energy: -114.694
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.229
local terms energy: -63.406283
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -95.196799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.196799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.196799 (E_RNA)
where:
Base-Base interactions energy: -27.190
where: short stacking energy: -24.786
Base-Backbone interact. energy: -0.118
local terms energy: -67.888618
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -13.916
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: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -91.633197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.633197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.633197 (E_RNA)
where:
Base-Base interactions energy: -33.855
where: short stacking energy: -29.262
Base-Backbone interact. energy: -0.066
local terms energy: -57.712460
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -83.929607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.929607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.929607 (E_RNA)
where:
Base-Base interactions energy: -26.736
where: short stacking energy: -26.736
Base-Backbone interact. energy: 0.009
local terms energy: -57.202807
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -12.327
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: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -83.551450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.551450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.551450 (E_RNA)
where:
Base-Base interactions energy: -38.161
where: short stacking energy: -24.456
Base-Backbone interact. energy: -0.081
local terms energy: -45.309501
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -246.393779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.393779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.393779 (E_RNA)
where:
Base-Base interactions energy: -164.530
where: short stacking energy: -65.707
Base-Backbone interact. energy: 0.382
local terms energy: -82.245947
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -224.547129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.547129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.547129 (E_RNA)
where:
Base-Base interactions energy: -142.208
where: short stacking energy: -80.788
Base-Backbone interact. energy: -0.089
local terms energy: -82.249704
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -23.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -261.256289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.256289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.256289 (E_RNA)
where:
Base-Base interactions energy: -184.896
where: short stacking energy: -62.545
Base-Backbone interact. energy: -1.118
local terms energy: -75.242162
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -13.854
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: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -197.106150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.106150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.106150 (E_RNA)
where:
Base-Base interactions energy: -122.382
where: short stacking energy: -60.306
Base-Backbone interact. energy: -0.336
local terms energy: -74.388339
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -17.208
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: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -208.630599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.630599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.630599 (E_RNA)
where:
Base-Base interactions energy: -129.892
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.275
local terms energy: -78.462910
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -165.417035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.417035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.417035 (E_RNA)
where:
Base-Base interactions energy: -103.550
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.177
local terms energy: -61.689770
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -96.906193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.906193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.906193 (E_RNA)
where:
Base-Base interactions energy: -46.664
where: short stacking energy: -26.301
Base-Backbone interact. energy: -0.370
local terms energy: -49.872609
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: 2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -94.117115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.117115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.117115 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -35.149
Base-Backbone interact. energy: -0.144
local terms energy: -55.481632
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -99.045982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.045982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.045982 (E_RNA)
where:
Base-Base interactions energy: -35.577
where: short stacking energy: -34.606
Base-Backbone interact. energy: -0.209
local terms energy: -63.259425
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -82.062691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.062691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.062691 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -32.515
Base-Backbone interact. energy: 1.702
local terms energy: -48.887286
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -7.770
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: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -248.168781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.168781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.168781 (E_RNA)
where:
Base-Base interactions energy: -165.793
where: short stacking energy: -72.676
Base-Backbone interact. energy: -0.982
local terms energy: -81.393935
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -17.403
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: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -211.885745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.885745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.885745 (E_RNA)
where:
Base-Base interactions energy: -136.642
where: short stacking energy: -70.732
Base-Backbone interact. energy: -0.034
local terms energy: -75.210163
where:
bonds (distance) C4'-P energy: -6.439
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -260.178682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.178682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.178682 (E_RNA)
where:
Base-Base interactions energy: -193.564
where: short stacking energy: -59.861
Base-Backbone interact. energy: -1.315
local terms energy: -65.300122
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -202.466385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.466385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.466385 (E_RNA)
where:
Base-Base interactions energy: -125.743
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.132
local terms energy: -76.591844
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -191.251989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.251989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.251989 (E_RNA)
where:
Base-Base interactions energy: -117.538
where: short stacking energy: -59.625
Base-Backbone interact. energy: -0.798
local terms energy: -72.915883
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -181.547267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.547267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.547267 (E_RNA)
where:
Base-Base interactions energy: -117.530
where: short stacking energy: -53.609
Base-Backbone interact. energy: -0.971
local terms energy: -63.046902
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -17.804
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: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -95.829682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.829682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.829682 (E_RNA)
where:
Base-Base interactions energy: -39.174
where: short stacking energy: -39.174
Base-Backbone interact. energy: -0.315
local terms energy: -56.340585
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -102.913246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.913246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.913246 (E_RNA)
where:
Base-Base interactions energy: -48.390
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.033
local terms energy: -54.489446
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -88.831625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831625 (E_RNA)
where:
Base-Base interactions energy: -46.850
where: short stacking energy: -34.118
Base-Backbone interact. energy: -0.963
local terms energy: -41.017892
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: 0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -75.147484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.147484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.147484 (E_RNA)
where:
Base-Base interactions energy: -25.679
where: short stacking energy: -24.058
Base-Backbone interact. energy: -0.199
local terms energy: -49.269113
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -240.221188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.221188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.221188 (E_RNA)
where:
Base-Base interactions energy: -162.169
where: short stacking energy: -66.226
Base-Backbone interact. energy: -0.261
local terms energy: -77.790920
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -256.090209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.090209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.090209 (E_RNA)
where:
Base-Base interactions energy: -181.356
where: short stacking energy: -64.444
Base-Backbone interact. energy: -1.158
local terms energy: -73.576155
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.714
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: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -218.167433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.167433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.167433 (E_RNA)
where:
Base-Base interactions energy: -134.078
where: short stacking energy: -80.610
Base-Backbone interact. energy: -0.026
local terms energy: -84.064372
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -22.927
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: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -211.185298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.185298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.185298 (E_RNA)
where:
Base-Base interactions energy: -131.426
where: short stacking energy: -67.297
Base-Backbone interact. energy: -0.607
local terms energy: -79.152842
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -171.862076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.862076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.862076 (E_RNA)
where:
Base-Base interactions energy: -105.114
where: short stacking energy: -51.971
Base-Backbone interact. energy: -0.162
local terms energy: -66.585839
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -189.867753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.867753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.867753 (E_RNA)
where:
Base-Base interactions energy: -120.045
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.166
local terms energy: -69.656261
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -109.775072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.775072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.775072 (E_RNA)
where:
Base-Base interactions energy: -45.553
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.553
local terms energy: -63.668363
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -10.451
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: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -95.622885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.622885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.622885 (E_RNA)
where:
Base-Base interactions energy: -45.092
where: short stacking energy: -20.450
Base-Backbone interact. energy: -2.232
local terms energy: -48.298935
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -93.381701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.381701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.381701 (E_RNA)
where:
Base-Base interactions energy: -45.873
where: short stacking energy: -36.756
Base-Backbone interact. energy: -0.166
local terms energy: -47.342932
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -6.373
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: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -90.746066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.746066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.746066 (E_RNA)
where:
Base-Base interactions energy: -32.864
where: short stacking energy: -32.864
Base-Backbone interact. energy: 0.462
local terms energy: -58.344663
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -240.253495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.253495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.253495 (E_RNA)
where:
Base-Base interactions energy: -171.966
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.505
local terms energy: -67.782227
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -11.532
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: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -237.767512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.767512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.767512 (E_RNA)
where:
Base-Base interactions energy: -159.186
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.492
local terms energy: -78.089523
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -215.752442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.752442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.752442 (E_RNA)
where:
Base-Base interactions energy: -141.014
where: short stacking energy: -76.960
Base-Backbone interact. energy: -0.055
local terms energy: -74.683248
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -10.184
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -19.461
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: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -190.615295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.615295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.615295 (E_RNA)
where:
Base-Base interactions energy: -116.208
where: short stacking energy: -61.660
Base-Backbone interact. energy: -0.123
local terms energy: -74.284613
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -169.927486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.927486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.927486 (E_RNA)
where:
Base-Base interactions energy: -109.256
where: short stacking energy: -46.253
Base-Backbone interact. energy: -0.340
local terms energy: -60.331172
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -168.217021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.217021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.217021 (E_RNA)
where:
Base-Base interactions energy: -106.837
where: short stacking energy: -56.536
Base-Backbone interact. energy: -0.230
local terms energy: -61.149440
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -8.794
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: 158
Temperature: 1.200000
Total energy: -97.765897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.765897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.765897 (E_RNA)
where:
Base-Base interactions energy: -54.205
where: short stacking energy: -41.118
Base-Backbone interact. energy: -0.663
local terms energy: -42.897766
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -2.694
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: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -95.784513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.784513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.784513 (E_RNA)
where:
Base-Base interactions energy: -39.240
where: short stacking energy: -35.021
Base-Backbone interact. energy: -0.177
local terms energy: -56.367393
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -82.120392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.120392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.120392 (E_RNA)
where:
Base-Base interactions energy: -25.364
where: short stacking energy: -24.559
Base-Backbone interact. energy: 1.118
local terms energy: -57.874240
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -99.809557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.809557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.809557 (E_RNA)
where:
Base-Base interactions energy: -48.163
where: short stacking energy: -27.984
Base-Backbone interact. energy: -0.919
local terms energy: -50.727712
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -243.998101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.998101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.998101 (E_RNA)
where:
Base-Base interactions energy: -166.080
where: short stacking energy: -70.039
Base-Backbone interact. energy: -1.294
local terms energy: -76.624570
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -238.009447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.009447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.009447 (E_RNA)
where:
Base-Base interactions energy: -161.599
where: short stacking energy: -65.105
Base-Backbone interact. energy: -1.574
local terms energy: -74.836398
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -11.633
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: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -212.184137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.184137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.184137 (E_RNA)
where:
Base-Base interactions energy: -132.082
where: short stacking energy: -73.531
Base-Backbone interact. energy: -0.245
local terms energy: -79.857348
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -185.152431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.152431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.152431 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -62.029
Base-Backbone interact. energy: -0.045
local terms energy: -68.921683
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -193.756701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.756701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.756701 (E_RNA)
where:
Base-Base interactions energy: -117.421
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.002
local terms energy: -76.333836
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -184.245256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.245256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.245256 (E_RNA)
where:
Base-Base interactions energy: -110.767
where: short stacking energy: -47.369
Base-Backbone interact. energy: -0.037
local terms energy: -73.440838
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -106.198593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.198593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.198593 (E_RNA)
where:
Base-Base interactions energy: -48.936
where: short stacking energy: -38.900
Base-Backbone interact. energy: -0.974
local terms energy: -56.289354
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: 0.316
tors. eta vs tors. theta energy: -6.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -91.784435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.784435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.784435 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -28.376
Base-Backbone interact. energy: -0.117
local terms energy: -52.798723
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -115.810274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.810274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.810274 (E_RNA)
where:
Base-Base interactions energy: -59.425
where: short stacking energy: -36.699
Base-Backbone interact. energy: 3.073
local terms energy: -59.458492
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -88.308212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.308212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.308212 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.314
local terms energy: -47.320844
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -241.788485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.788485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.788485 (E_RNA)
where:
Base-Base interactions energy: -165.319
where: short stacking energy: -67.584
Base-Backbone interact. energy: -0.658
local terms energy: -75.811178
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -14.472
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: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -247.965634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.965634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.965634 (E_RNA)
where:
Base-Base interactions energy: -178.316
where: short stacking energy: -65.631
Base-Backbone interact. energy: -0.191
local terms energy: -69.457863
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -11.903
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: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -216.747401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.747401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.747401 (E_RNA)
where:
Base-Base interactions energy: -129.702
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.398
local terms energy: -86.647583
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -23.637
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: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -210.883054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.883054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.883054 (E_RNA)
where:
Base-Base interactions energy: -133.198
where: short stacking energy: -65.680
Base-Backbone interact. energy: -0.118
local terms energy: -77.566820
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -175.490112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.490112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.490112 (E_RNA)
where:
Base-Base interactions energy: -106.417
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.139
local terms energy: -68.934454
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -174.251743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.251743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.251743 (E_RNA)
where:
Base-Base interactions energy: -110.164
where: short stacking energy: -46.870
Base-Backbone interact. energy: -0.687
local terms energy: -63.401654
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -95.947897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.947897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.947897 (E_RNA)
where:
Base-Base interactions energy: -42.635
where: short stacking energy: -42.515
Base-Backbone interact. energy: 0.973
local terms energy: -54.286242
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -9.428
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: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -90.466255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.466255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.466255 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -31.833
Base-Backbone interact. energy: -0.074
local terms energy: -58.559102
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -87.513978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.513978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.513978 (E_RNA)
where:
Base-Base interactions energy: -33.884
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.138
local terms energy: -53.491818
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -84.937259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.937259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.937259 (E_RNA)
where:
Base-Base interactions energy: -30.538
where: short stacking energy: -25.522
Base-Backbone interact. energy: 0.532
local terms energy: -54.931054
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: 0.531
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: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -242.820322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.820322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.820322 (E_RNA)
where:
Base-Base interactions energy: -172.643
where: short stacking energy: -63.995
Base-Backbone interact. energy: 0.228
local terms energy: -70.405890
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -216.779396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.779396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.779396 (E_RNA)
where:
Base-Base interactions energy: -134.231
where: short stacking energy: -77.991
Base-Backbone interact. energy: -0.503
local terms energy: -82.045076
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -233.954779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.954779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.954779 (E_RNA)
where:
Base-Base interactions energy: -165.532
where: short stacking energy: -58.408
Base-Backbone interact. energy: -1.400
local terms energy: -67.023303
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -197.469786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.469786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.469786 (E_RNA)
where:
Base-Base interactions energy: -116.316
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.353
local terms energy: -80.801000
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -196.179152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.179152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.179152 (E_RNA)
where:
Base-Base interactions energy: -128.970
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.900
local terms energy: -66.308561
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -171.948829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.948829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.948829 (E_RNA)
where:
Base-Base interactions energy: -105.838
where: short stacking energy: -46.420
Base-Backbone interact. energy: -0.393
local terms energy: -65.717780
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -109.987367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.987367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.987367 (E_RNA)
where:
Base-Base interactions energy: -53.048
where: short stacking energy: -40.390
Base-Backbone interact. energy: 0.001
local terms energy: -56.940362
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -89.934528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.934528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.934528 (E_RNA)
where:
Base-Base interactions energy: -32.451
where: short stacking energy: -32.451
Base-Backbone interact. energy: -0.513
local terms energy: -56.970366
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -90.377593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.377593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.377593 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.044
local terms energy: -56.935242
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.397
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: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -75.019546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.019546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.019546 (E_RNA)
where:
Base-Base interactions energy: -29.546
where: short stacking energy: -26.256
Base-Backbone interact. energy: -0.337
local terms energy: -45.135877
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -244.980663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.980663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.980663 (E_RNA)
where:
Base-Base interactions energy: -170.617
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.171
local terms energy: -74.192460
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -15.262
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -222.483615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.483615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.483615 (E_RNA)
where:
Base-Base interactions energy: -135.300
where: short stacking energy: -76.748
Base-Backbone interact. energy: -0.496
local terms energy: -86.687697
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -209.151599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.151599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.151599 (E_RNA)
where:
Base-Base interactions energy: -136.845
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.033
local terms energy: -72.273553
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -9.034
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: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -234.029845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.029845 (E_RNA)
where:
Base-Base interactions energy: -160.936
where: short stacking energy: -68.539
Base-Backbone interact. energy: -0.343
local terms energy: -72.750657
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -12.795
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: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -193.935847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.935847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.935847 (E_RNA)
where:
Base-Base interactions energy: -121.374
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.378
local terms energy: -72.183428
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -194.732406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.732406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.732406 (E_RNA)
where:
Base-Base interactions energy: -126.293
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.230
local terms energy: -68.209356
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -95.009158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.009158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.009158 (E_RNA)
where:
Base-Base interactions energy: -43.954
where: short stacking energy: -43.853
Base-Backbone interact. energy: -0.300
local terms energy: -50.755480
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -6.454
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: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -96.959128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.959128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.959128 (E_RNA)
where:
Base-Base interactions energy: -36.934
where: short stacking energy: -35.751
Base-Backbone interact. energy: 0.000
local terms energy: -60.025004
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -93.242777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.242777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.242777 (E_RNA)
where:
Base-Base interactions energy: -42.402
where: short stacking energy: -19.612
Base-Backbone interact. energy: -0.790
local terms energy: -50.050400
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -75.193918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.193918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.193918 (E_RNA)
where:
Base-Base interactions energy: -24.805
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.249
local terms energy: -50.140441
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -240.906856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.906856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.906856 (E_RNA)
where:
Base-Base interactions energy: -170.103
where: short stacking energy: -68.920
Base-Backbone interact. energy: -1.723
local terms energy: -69.081512
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -222.086693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.086693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.086693 (E_RNA)
where:
Base-Base interactions energy: -141.585
where: short stacking energy: -75.540
Base-Backbone interact. energy: -0.348
local terms energy: -80.153947
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -23.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -201.263743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.263743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.263743 (E_RNA)
where:
Base-Base interactions energy: -122.387
where: short stacking energy: -71.746
Base-Backbone interact. energy: -0.947
local terms energy: -77.929385
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -21.139
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -192.879024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.879024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.879024 (E_RNA)
where:
Base-Base interactions energy: -116.575
where: short stacking energy: -54.213
Base-Backbone interact. energy: -0.426
local terms energy: -75.878316
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -228.433505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.433505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.433505 (E_RNA)
where:
Base-Base interactions energy: -161.514
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.145
local terms energy: -66.774891
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -167.729171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.729171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.729171 (E_RNA)
where:
Base-Base interactions energy: -105.264
where: short stacking energy: -44.430
Base-Backbone interact. energy: -0.290
local terms energy: -62.174594
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -9.905
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: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -94.999981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.999981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.999981 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.523
local terms energy: -57.141381
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: 0.845
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: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -117.134220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.134220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.134220 (E_RNA)
where:
Base-Base interactions energy: -66.125
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.236
local terms energy: -50.772980
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -92.297295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.297295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.297295 (E_RNA)
where:
Base-Base interactions energy: -42.797
where: short stacking energy: -26.684
Base-Backbone interact. energy: 0.203
local terms energy: -49.703578
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -81.649270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.649270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.649270 (E_RNA)
where:
Base-Base interactions energy: -31.547
where: short stacking energy: -30.531
Base-Backbone interact. energy: -0.112
local terms energy: -49.990470
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -221.425608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.425608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.425608 (E_RNA)
where:
Base-Base interactions energy: -144.390
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.179
local terms energy: -76.856959
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -241.317224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.317224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.317224 (E_RNA)
where:
Base-Base interactions energy: -174.114
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.960
local terms energy: -66.243882
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -195.504415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.504415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.504415 (E_RNA)
where:
Base-Base interactions energy: -121.337
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.458
local terms energy: -73.710132
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -10.957
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: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -192.923270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.923270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.923270 (E_RNA)
where:
Base-Base interactions energy: -119.768
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.593
local terms energy: -72.562712
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -218.041941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.041941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.041941 (E_RNA)
where:
Base-Base interactions energy: -154.810
where: short stacking energy: -72.394
Base-Backbone interact. energy: -0.083
local terms energy: -63.148951
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -15.791
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: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -179.987990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.987990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.987990 (E_RNA)
where:
Base-Base interactions energy: -114.742
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.183
local terms energy: -65.063166
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -15.136
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: 164
Temperature: 1.200000
Total energy: -99.302010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.302010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.302010 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -33.425
Base-Backbone interact. energy: -0.139
local terms energy: -63.235576
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -97.202479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.202479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.202479 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -30.292
Base-Backbone interact. energy: -0.096
local terms energy: -58.428231
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -84.327965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.327965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.327965 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -22.709
Base-Backbone interact. energy: 0.471
local terms energy: -57.244794
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -81.452372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.452372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.452372 (E_RNA)
where:
Base-Base interactions energy: -35.890
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.332
local terms energy: -45.230344
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -206.263832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.263832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.263832 (E_RNA)
where:
Base-Base interactions energy: -131.426
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.393
local terms energy: -74.444957
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -247.820699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.820699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.820699 (E_RNA)
where:
Base-Base interactions energy: -172.527
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.987
local terms energy: -74.307545
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -198.054718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.054718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.054718 (E_RNA)
where:
Base-Base interactions energy: -121.806
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.718
local terms energy: -75.530570
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -223.477481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.477481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.477481 (E_RNA)
where:
Base-Base interactions energy: -144.370
where: short stacking energy: -62.719
Base-Backbone interact. energy: -1.147
local terms energy: -77.959567
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -16.689
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: 165
Temperature: 1.100000
Total energy: -189.847988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.847988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.847988 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.146
local terms energy: -72.419675
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -11.757
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: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -113.164931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.164931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.164931 (E_RNA)
where:
Base-Base interactions energy: -45.957
where: short stacking energy: -39.932
Base-Backbone interact. energy: -0.003
local terms energy: -67.204183
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -172.084599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.084599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.084599 (E_RNA)
where:
Base-Base interactions energy: -111.207
where: short stacking energy: -48.022
Base-Backbone interact. energy: -0.030
local terms energy: -60.847778
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -108.323721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.323721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.323721 (E_RNA)
where:
Base-Base interactions energy: -57.794
where: short stacking energy: -33.404
Base-Backbone interact. energy: -0.218
local terms energy: -50.311827
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -6.507
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: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -94.768221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.768221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.768221 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -34.562
Base-Backbone interact. energy: 0.521
local terms energy: -60.476326
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -10.171
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -82.918777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.918777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.918777 (E_RNA)
where:
Base-Base interactions energy: -28.451
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.017
local terms energy: -54.450286
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -254.015882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.015882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.015882 (E_RNA)
where:
Base-Base interactions energy: -180.892
where: short stacking energy: -68.931
Base-Backbone interact. energy: -1.250
local terms energy: -71.873727
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -220.215324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.215324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.215324 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -75.571
Base-Backbone interact. energy: -0.038
local terms energy: -77.942959
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -12.465
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: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -234.205183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.205183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.205183 (E_RNA)
where:
Base-Base interactions energy: -161.321
where: short stacking energy: -72.810
Base-Backbone interact. energy: -0.531
local terms energy: -72.353837
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -212.962135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.962135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.962135 (E_RNA)
where:
Base-Base interactions energy: -134.829
where: short stacking energy: -76.786
Base-Backbone interact. energy: -0.115
local terms energy: -78.018278
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -190.867563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.867563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.867563 (E_RNA)
where:
Base-Base interactions energy: -119.640
where: short stacking energy: -63.306
Base-Backbone interact. energy: -0.810
local terms energy: -70.417982
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -122.032868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.032868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.032868 (E_RNA)
where:
Base-Base interactions energy: -54.636
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.005
local terms energy: -67.391716
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -15.761
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: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -166.379381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.379381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.379381 (E_RNA)
where:
Base-Base interactions energy: -94.148
where: short stacking energy: -46.562
Base-Backbone interact. energy: -1.087
local terms energy: -71.144689
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -100.856997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.856997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.856997 (E_RNA)
where:
Base-Base interactions energy: -46.130
where: short stacking energy: -41.690
Base-Backbone interact. energy: -0.122
local terms energy: -54.605425
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -7.690
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: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -88.251751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.251751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.251751 (E_RNA)
where:
Base-Base interactions energy: -34.125
where: short stacking energy: -30.473
Base-Backbone interact. energy: -0.106
local terms energy: -54.020261
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -2.954
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: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -81.517155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.517155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.517155 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.028
local terms energy: -47.353251
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -251.428505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.428505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.428505 (E_RNA)
where:
Base-Base interactions energy: -178.788
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.825
local terms energy: -71.815856
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -13.164
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: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -239.152891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.152891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.152891 (E_RNA)
where:
Base-Base interactions energy: -155.353
where: short stacking energy: -72.461
Base-Backbone interact. energy: 0.452
local terms energy: -84.251278
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -208.988395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.988395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.988395 (E_RNA)
where:
Base-Base interactions energy: -125.996
where: short stacking energy: -71.515
Base-Backbone interact. energy: -0.022
local terms energy: -82.970435
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -9.257
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: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -210.873700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.873700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.873700 (E_RNA)
where:
Base-Base interactions energy: -135.070
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.144
local terms energy: -75.659677
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -179.485338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.485338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.485338 (E_RNA)
where:
Base-Base interactions energy: -111.616
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.171
local terms energy: -67.698427
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -10.558
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -10.217
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: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -153.604023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.604023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.604023 (E_RNA)
where:
Base-Base interactions energy: -90.193
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.434
local terms energy: -62.977387
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -101.991432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.991432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.991432 (E_RNA)
where:
Base-Base interactions energy: -53.206
where: short stacking energy: -31.380
Base-Backbone interact. energy: -0.499
local terms energy: -48.285880
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -1.910
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -104.472122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.472122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.472122 (E_RNA)
where:
Base-Base interactions energy: -38.007
where: short stacking energy: -34.777
Base-Backbone interact. energy: -0.062
local terms energy: -66.403043
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -99.436051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.436051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.436051 (E_RNA)
where:
Base-Base interactions energy: -50.641
where: short stacking energy: -31.330
Base-Backbone interact. energy: -0.135
local terms energy: -48.660617
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -85.599389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.599389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.599389 (E_RNA)
where:
Base-Base interactions energy: -29.084
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.362
local terms energy: -56.153921
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -242.507726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.507726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.507726 (E_RNA)
where:
Base-Base interactions energy: -163.867
where: short stacking energy: -77.453
Base-Backbone interact. energy: -0.171
local terms energy: -78.470300
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -22.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -238.083635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.083635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.083635 (E_RNA)
where:
Base-Base interactions energy: -174.316
where: short stacking energy: -66.205
Base-Backbone interact. energy: -0.022
local terms energy: -63.746102
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -226.348379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.348379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.348379 (E_RNA)
where:
Base-Base interactions energy: -147.528
where: short stacking energy: -77.908
Base-Backbone interact. energy: -0.054
local terms energy: -78.765896
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -189.124386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.124386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.124386 (E_RNA)
where:
Base-Base interactions energy: -115.233
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.030
local terms energy: -73.861521
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -220.077308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.077308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077308 (E_RNA)
where:
Base-Base interactions energy: -138.385
where: short stacking energy: -76.263
Base-Backbone interact. energy: -1.467
local terms energy: -80.225084
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -8.523
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: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -164.737901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.737901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.737901 (E_RNA)
where:
Base-Base interactions energy: -97.603
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.521
local terms energy: -66.613505
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -97.930507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.930507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.930507 (E_RNA)
where:
Base-Base interactions energy: -42.279
where: short stacking energy: -42.061
Base-Backbone interact. energy: -0.117
local terms energy: -55.533903
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -11.885
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: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -100.733484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.733484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.733484 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -33.912
Base-Backbone interact. energy: -0.133
local terms energy: -67.189176
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -99.790114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.790114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.790114 (E_RNA)
where:
Base-Base interactions energy: -37.098
where: short stacking energy: -37.198
Base-Backbone interact. energy: 0.110
local terms energy: -62.801600
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -8.580
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: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -87.425628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.425628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.425628 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -30.155
Base-Backbone interact. energy: -0.125
local terms energy: -57.515878
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -247.804747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.804747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.804747 (E_RNA)
where:
Base-Base interactions energy: -165.211
where: short stacking energy: -72.697
Base-Backbone interact. energy: -1.153
local terms energy: -81.441351
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -232.821141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.821141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.821141 (E_RNA)
where:
Base-Base interactions energy: -140.519
where: short stacking energy: -80.567
Base-Backbone interact. energy: -0.487
local terms energy: -91.815303
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -238.050112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.050112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.050112 (E_RNA)
where:
Base-Base interactions energy: -160.104
where: short stacking energy: -60.979
Base-Backbone interact. energy: 0.154
local terms energy: -78.100110
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -10.189
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: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -199.043377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.043377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.043377 (E_RNA)
where:
Base-Base interactions energy: -128.724
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.065
local terms energy: -70.253898
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -19.387
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: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -165.189984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.189984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.189984 (E_RNA)
where:
Base-Base interactions energy: -97.371
where: short stacking energy: -51.772
Base-Backbone interact. energy: -0.045
local terms energy: -67.774213
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -8.202
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: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -156.110743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.110743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.110743 (E_RNA)
where:
Base-Base interactions energy: -94.771
where: short stacking energy: -51.673
Base-Backbone interact. energy: -0.451
local terms energy: -60.889246
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -10.381
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: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -100.154401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.154401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.154401 (E_RNA)
where:
Base-Base interactions energy: -41.019
where: short stacking energy: -41.019
Base-Backbone interact. energy: -0.392
local terms energy: -58.743030
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -7.127
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: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -84.238966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.238966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.238966 (E_RNA)
where:
Base-Base interactions energy: -29.797
where: short stacking energy: -29.640
Base-Backbone interact. energy: -1.385
local terms energy: -53.057182
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -91.922495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.922495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.922495 (E_RNA)
where:
Base-Base interactions energy: -35.054
where: short stacking energy: -33.749
Base-Backbone interact. energy: 0.076
local terms energy: -56.943991
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -7.453
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: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -87.988030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.988030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.988030 (E_RNA)
where:
Base-Base interactions energy: -29.362
where: short stacking energy: -25.706
Base-Backbone interact. energy: -0.378
local terms energy: -58.248169
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -234.437863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.437863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.437863 (E_RNA)
where:
Base-Base interactions energy: -144.167
where: short stacking energy: -81.382
Base-Backbone interact. energy: -0.001
local terms energy: -90.269791
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -249.284542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.284542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.284542 (E_RNA)
where:
Base-Base interactions energy: -170.659
where: short stacking energy: -72.657
Base-Backbone interact. energy: 0.185
local terms energy: -78.810341
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -16.189
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: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -198.741405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.741405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.741405 (E_RNA)
where:
Base-Base interactions energy: -118.193
where: short stacking energy: -54.242
Base-Backbone interact. energy: 0.179
local terms energy: -80.727037
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -219.036409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.036409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.036409 (E_RNA)
where:
Base-Base interactions energy: -152.199
where: short stacking energy: -64.463
Base-Backbone interact. energy: -1.015
local terms energy: -65.822898
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -186.312834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.312834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.312834 (E_RNA)
where:
Base-Base interactions energy: -119.597
where: short stacking energy: -52.144
Base-Backbone interact. energy: -0.046
local terms energy: -66.669478
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -164.789885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.789885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.789885 (E_RNA)
where:
Base-Base interactions energy: -102.451
where: short stacking energy: -45.490
Base-Backbone interact. energy: -0.155
local terms energy: -62.183723
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -12.464
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: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -100.884751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.884751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.884751 (E_RNA)
where:
Base-Base interactions energy: -43.890
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.002
local terms energy: -56.992211
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -7.167
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: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -94.006202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.006202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.006202 (E_RNA)
where:
Base-Base interactions energy: -34.551
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.030
local terms energy: -59.424720
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -81.201868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.201868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.201868 (E_RNA)
where:
Base-Base interactions energy: -22.461
where: short stacking energy: -19.338
Base-Backbone interact. energy: -0.190
local terms energy: -58.550926
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -84.199316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.199316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.199316 (E_RNA)
where:
Base-Base interactions energy: -32.713
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.052
local terms energy: -51.434689
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -8.308
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: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -234.167938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.167938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.167938 (E_RNA)
where:
Base-Base interactions energy: -144.321
where: short stacking energy: -80.623
Base-Backbone interact. energy: -0.528
local terms energy: -89.318294
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -23.700
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: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -255.409386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.409386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.409386 (E_RNA)
where:
Base-Base interactions energy: -173.469
where: short stacking energy: -74.201
Base-Backbone interact. energy: 0.483
local terms energy: -82.423477
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -18.108
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: 171
Temperature: 1.000000
Total energy: -211.327764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.327764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.327764 (E_RNA)
where:
Base-Base interactions energy: -136.615
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.107
local terms energy: -74.605713
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -18.546
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: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -224.254986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.254986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.254986 (E_RNA)
where:
Base-Base interactions energy: -160.879
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.509
local terms energy: -62.867351
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -192.273634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.273634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.273634 (E_RNA)
where:
Base-Base interactions energy: -115.658
where: short stacking energy: -64.747
Base-Backbone interact. energy: -0.075
local terms energy: -76.540767
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -12.306
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: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -180.141745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.141745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.141745 (E_RNA)
where:
Base-Base interactions energy: -109.839
where: short stacking energy: -54.482
Base-Backbone interact. energy: -0.106
local terms energy: -70.196210
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -114.493010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.493010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.493010 (E_RNA)
where:
Base-Base interactions energy: -42.777
where: short stacking energy: -42.672
Base-Backbone interact. energy: -0.686
local terms energy: -71.030131
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -89.242387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.242387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.242387 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -33.293
Base-Backbone interact. energy: -0.033
local terms energy: -55.916313
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -97.726859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.726859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.726859 (E_RNA)
where:
Base-Base interactions energy: -43.883
where: short stacking energy: -40.803
Base-Backbone interact. energy: -0.134
local terms energy: -53.709558
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -2.354
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -77.138031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.138031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.138031 (E_RNA)
where:
Base-Base interactions energy: -27.881
where: short stacking energy: -27.881
Base-Backbone interact. energy: 0.821
local terms energy: -50.077424
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: 3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -258.085976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.085976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.085976 (E_RNA)
where:
Base-Base interactions energy: -180.777
where: short stacking energy: -72.366
Base-Backbone interact. energy: -0.630
local terms energy: -76.679043
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -228.027260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.027260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.027260 (E_RNA)
where:
Base-Base interactions energy: -140.714
where: short stacking energy: -83.716
Base-Backbone interact. energy: -0.467
local terms energy: -86.846287
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -219.056159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.056159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.056159 (E_RNA)
where:
Base-Base interactions energy: -152.458
where: short stacking energy: -50.262
Base-Backbone interact. energy: -2.021
local terms energy: -64.576474
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -14.607
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: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -201.592812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.592812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.592812 (E_RNA)
where:
Base-Base interactions energy: -127.661
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.051
local terms energy: -73.881147
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.714
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: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -188.960000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.960000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.960000 (E_RNA)
where:
Base-Base interactions energy: -121.216
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.563
local terms energy: -67.180992
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -185.930179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.930179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.930179 (E_RNA)
where:
Base-Base interactions energy: -112.997
where: short stacking energy: -53.115
Base-Backbone interact. energy: 0.267
local terms energy: -73.200464
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -97.860994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.860994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.860994 (E_RNA)
where:
Base-Base interactions energy: -38.713
where: short stacking energy: -38.713
Base-Backbone interact. energy: -0.004
local terms energy: -59.144201
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -101.505949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.505949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.505949 (E_RNA)
where:
Base-Base interactions energy: -43.982
where: short stacking energy: -40.708
Base-Backbone interact. energy: -0.417
local terms energy: -57.106588
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -8.269
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: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -96.968008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.968008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.968008 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.045
local terms energy: -63.872182
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -84.634111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.634111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.634111 (E_RNA)
where:
Base-Base interactions energy: -42.487
where: short stacking energy: -24.980
Base-Backbone interact. energy: 0.262
local terms energy: -42.408766
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -5.756
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: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -255.362461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.362461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.362461 (E_RNA)
where:
Base-Base interactions energy: -181.039
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.656
local terms energy: -73.667332
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -231.853406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.853406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.853406 (E_RNA)
where:
Base-Base interactions energy: -157.655
where: short stacking energy: -70.206
Base-Backbone interact. energy: -0.339
local terms energy: -73.858572
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -16.212
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: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -213.135954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.135954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.135954 (E_RNA)
where:
Base-Base interactions energy: -130.076
where: short stacking energy: -74.805
Base-Backbone interact. energy: -0.043
local terms energy: -83.017429
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -168.338986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.338986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.338986 (E_RNA)
where:
Base-Base interactions energy: -105.903
where: short stacking energy: -54.068
Base-Backbone interact. energy: -0.490
local terms energy: -61.945793
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -188.375399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.375399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.375399 (E_RNA)
where:
Base-Base interactions energy: -125.711
where: short stacking energy: -60.221
Base-Backbone interact. energy: -1.006
local terms energy: -61.658162
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -111.011212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.011212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.011212 (E_RNA)
where:
Base-Base interactions energy: -41.870
where: short stacking energy: -41.870
Base-Backbone interact. energy: -0.041
local terms energy: -69.100065
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -163.398535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.398535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.398535 (E_RNA)
where:
Base-Base interactions energy: -97.585
where: short stacking energy: -51.308
Base-Backbone interact. energy: -0.081
local terms energy: -65.732572
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -10.962
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: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -94.843212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.843212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.843212 (E_RNA)
where:
Base-Base interactions energy: -43.467
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.176
local terms energy: -51.200286
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -0.254
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -83.547497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.547497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.547497 (E_RNA)
where:
Base-Base interactions energy: -27.042
where: short stacking energy: -25.476
Base-Backbone interact. energy: 2.385
local terms energy: -58.890161
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -84.940436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.940436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.940436 (E_RNA)
where:
Base-Base interactions energy: -37.410
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.302
local terms energy: -47.228527
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: 2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -259.133578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.133578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.133578 (E_RNA)
where:
Base-Base interactions energy: -180.804
where: short stacking energy: -73.379
Base-Backbone interact. energy: -0.134
local terms energy: -78.195658
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -250.517743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.517743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.517743 (E_RNA)
where:
Base-Base interactions energy: -183.769
where: short stacking energy: -60.410
Base-Backbone interact. energy: 0.766
local terms energy: -67.514401
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.720
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: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -212.007134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.007134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.007134 (E_RNA)
where:
Base-Base interactions energy: -135.750
where: short stacking energy: -72.892
Base-Backbone interact. energy: -0.094
local terms energy: -76.163093
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -175.724383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.724383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.724383 (E_RNA)
where:
Base-Base interactions energy: -117.828
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.001
local terms energy: -57.895790
where:
bonds (distance) C4'-P energy: -8.556
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -188.181109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.181109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.181109 (E_RNA)
where:
Base-Base interactions energy: -117.404
where: short stacking energy: -60.527
Base-Backbone interact. energy: -0.054
local terms energy: -70.723354
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -119.593718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.593718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.593718 (E_RNA)
where:
Base-Base interactions energy: -52.727
where: short stacking energy: -42.241
Base-Backbone interact. energy: -0.112
local terms energy: -66.754951
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -114.278882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.278882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.278882 (E_RNA)
where:
Base-Base interactions energy: -54.075
where: short stacking energy: -44.086
Base-Backbone interact. energy: -0.137
local terms energy: -60.067479
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -132.496193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.496193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.496193 (E_RNA)
where:
Base-Base interactions energy: -69.158
where: short stacking energy: -41.651
Base-Backbone interact. energy: -0.254
local terms energy: -63.084265
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -8.936
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: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -104.787968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.787968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.787968 (E_RNA)
where:
Base-Base interactions energy: -54.093
where: short stacking energy: -30.469
Base-Backbone interact. energy: -0.721
local terms energy: -49.974535
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -94.915327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.915327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.915327 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.047
local terms energy: -53.559750
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -263.111807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.111807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.111807 (E_RNA)
where:
Base-Base interactions energy: -180.791
where: short stacking energy: -77.168
Base-Backbone interact. energy: -0.605
local terms energy: -81.715265
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -210.067852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.067852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.067852 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -67.205
Base-Backbone interact. energy: 0.321
local terms energy: -80.594903
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -235.079617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.079617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.079617 (E_RNA)
where:
Base-Base interactions energy: -158.441
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.342
local terms energy: -76.295908
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -203.923471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.923471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.923471 (E_RNA)
where:
Base-Base interactions energy: -127.422
where: short stacking energy: -62.757
Base-Backbone interact. energy: -0.171
local terms energy: -76.330735
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.917
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: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -189.932154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.932154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.932154 (E_RNA)
where:
Base-Base interactions energy: -117.288
where: short stacking energy: -57.677
Base-Backbone interact. energy: -0.214
local terms energy: -72.430625
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -124.642764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.642764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.642764 (E_RNA)
where:
Base-Base interactions energy: -60.052
where: short stacking energy: -44.490
Base-Backbone interact. energy: -0.230
local terms energy: -64.360119
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -93.562781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.562781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.562781 (E_RNA)
where:
Base-Base interactions energy: -45.188
where: short stacking energy: -38.267
Base-Backbone interact. energy: 0.564
local terms energy: -48.939220
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -101.299911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.299911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.299911 (E_RNA)
where:
Base-Base interactions energy: -60.022
where: short stacking energy: -24.338
Base-Backbone interact. energy: -0.428
local terms energy: -40.850024
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -8.539
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -6.728
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: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -86.020636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.020636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.020636 (E_RNA)
where:
Base-Base interactions energy: -37.447
where: short stacking energy: -18.688
Base-Backbone interact. energy: -0.014
local terms energy: -48.559805
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -14.416
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: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.753071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.753071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.753071 (E_RNA)
where:
Base-Base interactions energy: -27.514
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.153
local terms energy: -58.086736
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -256.806053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.806053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.806053 (E_RNA)
where:
Base-Base interactions energy: -186.028
where: short stacking energy: -67.946
Base-Backbone interact. energy: -0.453
local terms energy: -70.324539
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -8.067
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -220.787416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.787416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.787416 (E_RNA)
where:
Base-Base interactions energy: -137.258
where: short stacking energy: -74.838
Base-Backbone interact. energy: -1.649
local terms energy: -81.880625
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -20.954
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: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -217.913827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.913827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.913827 (E_RNA)
where:
Base-Base interactions energy: -155.154
where: short stacking energy: -62.742
Base-Backbone interact. energy: 0.593
local terms energy: -63.351904
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -8.369
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: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -211.495282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.495282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.495282 (E_RNA)
where:
Base-Base interactions energy: -137.803
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.729
local terms energy: -72.963880
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -216.748860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.748860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.748860 (E_RNA)
where:
Base-Base interactions energy: -133.536
where: short stacking energy: -69.819
Base-Backbone interact. energy: -1.117
local terms energy: -82.094916
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -23.777
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: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -101.228183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.228183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.228183 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -25.523
Base-Backbone interact. energy: -0.060
local terms energy: -63.565495
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -10.036
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: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -109.525354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.525354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.525354 (E_RNA)
where:
Base-Base interactions energy: -55.789
where: short stacking energy: -40.019
Base-Backbone interact. energy: 0.767
local terms energy: -54.503356
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -101.682395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.682395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.682395 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -38.773
Base-Backbone interact. energy: 0.127
local terms energy: -63.005678
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -78.588299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.588299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.588299 (E_RNA)
where:
Base-Base interactions energy: -26.445
where: short stacking energy: -25.702
Base-Backbone interact. energy: -0.470
local terms energy: -51.674086
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -4.305
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -77.513267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.513267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.513267 (E_RNA)
where:
Base-Base interactions energy: -26.005
where: short stacking energy: -26.005
Base-Backbone interact. energy: -0.674
local terms energy: -50.834273
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -255.737143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.737143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.737143 (E_RNA)
where:
Base-Base interactions energy: -178.485
where: short stacking energy: -73.415
Base-Backbone interact. energy: 0.910
local terms energy: -78.162647
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -12.758
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -222.147971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.147971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.147971 (E_RNA)
where:
Base-Base interactions energy: -154.017
where: short stacking energy: -61.992
Base-Backbone interact. energy: -0.517
local terms energy: -67.614173
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -13.173
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -209.588979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.588979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.588979 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.117
local terms energy: -66.130708
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -207.510208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.510208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.510208 (E_RNA)
where:
Base-Base interactions energy: -129.307
where: short stacking energy: -71.779
Base-Backbone interact. energy: -0.372
local terms energy: -77.831358
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -193.478560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.478560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.478560 (E_RNA)
where:
Base-Base interactions energy: -118.315
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.054
local terms energy: -75.110089
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -9.795
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: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -100.012756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.012756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.012756 (E_RNA)
where:
Base-Base interactions energy: -42.870
where: short stacking energy: -43.270
Base-Backbone interact. energy: -0.164
local terms energy: -56.979017
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -97.874189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.874189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.874189 (E_RNA)
where:
Base-Base interactions energy: -42.419
where: short stacking energy: -24.346
Base-Backbone interact. energy: -2.436
local terms energy: -53.019350
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -8.792
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: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -93.235742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.235742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.235742 (E_RNA)
where:
Base-Base interactions energy: -31.305
where: short stacking energy: -32.410
Base-Backbone interact. energy: -0.257
local terms energy: -61.673568
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -104.366840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.366840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.366840 (E_RNA)
where:
Base-Base interactions energy: -38.907
where: short stacking energy: -38.907
Base-Backbone interact. energy: -0.026
local terms energy: -65.433828
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -83.943605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.943605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.943605 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.017
local terms energy: -55.064259
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -6.388
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: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -256.323782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.323782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.323782 (E_RNA)
where:
Base-Base interactions energy: -175.207
where: short stacking energy: -79.260
Base-Backbone interact. energy: 1.301
local terms energy: -82.417460
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -242.578164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.578164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.578164 (E_RNA)
where:
Base-Base interactions energy: -170.207
where: short stacking energy: -70.794
Base-Backbone interact. energy: -0.758
local terms energy: -71.613134
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -13.173
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: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -206.700209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.700209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.700209 (E_RNA)
where:
Base-Base interactions energy: -123.361
where: short stacking energy: -68.658
Base-Backbone interact. energy: -0.616
local terms energy: -82.723222
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -196.251552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.251552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.251552 (E_RNA)
where:
Base-Base interactions energy: -118.959
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.076
local terms energy: -77.216176
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -17.855
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: 178
Temperature: 1.100000
Total energy: -191.627959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.627959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.627959 (E_RNA)
where:
Base-Base interactions energy: -122.620
where: short stacking energy: -57.603
Base-Backbone interact. energy: -0.085
local terms energy: -68.923142
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -107.865694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.865694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.865694 (E_RNA)
where:
Base-Base interactions energy: -49.769
where: short stacking energy: -41.095
Base-Backbone interact. energy: 2.052
local terms energy: -60.148997
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -98.555257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.555257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.555257 (E_RNA)
where:
Base-Base interactions energy: -37.807
where: short stacking energy: -30.166
Base-Backbone interact. energy: -0.383
local terms energy: -60.365578
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -9.851
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: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -89.461654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.461654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.461654 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -32.904
Base-Backbone interact. energy: -0.775
local terms energy: -53.840797
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -82.041500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.041500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.041500 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -28.190
Base-Backbone interact. energy: 2.460
local terms energy: -54.435136
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -84.266831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.266831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.266831 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -34.745
Base-Backbone interact. energy: 3.754
local terms energy: -47.644954
where:
bonds (distance) C4'-P energy: -7.993
bonds (distance) P-C4' energy: -9.773
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -8.114
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: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -258.398461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.398461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.398461 (E_RNA)
where:
Base-Base interactions energy: -180.597
where: short stacking energy: -77.353
Base-Backbone interact. energy: -0.051
local terms energy: -77.750695
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -16.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -246.805450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.805450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.805450 (E_RNA)
where:
Base-Base interactions energy: -166.286
where: short stacking energy: -61.060
Base-Backbone interact. energy: -0.726
local terms energy: -79.792693
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -13.156
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: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -199.020492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.020492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.020492 (E_RNA)
where:
Base-Base interactions energy: -122.762
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.109
local terms energy: -76.149270
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -200.870426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.870426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.870426 (E_RNA)
where:
Base-Base interactions energy: -125.467
where: short stacking energy: -67.328
Base-Backbone interact. energy: -1.083
local terms energy: -74.320096
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -186.098341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.098341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.098341 (E_RNA)
where:
Base-Base interactions energy: -116.818
where: short stacking energy: -48.739
Base-Backbone interact. energy: -1.415
local terms energy: -67.865225
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -100.433452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.433452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.433452 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -33.672
Base-Backbone interact. energy: -0.379
local terms energy: -60.994814
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -5.315
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: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -93.833113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.833113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.833113 (E_RNA)
where:
Base-Base interactions energy: -34.904
where: short stacking energy: -34.904
Base-Backbone interact. energy: -0.157
local terms energy: -58.772112
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -94.662931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.662931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.662931 (E_RNA)
where:
Base-Base interactions energy: -29.142
where: short stacking energy: -29.142
Base-Backbone interact. energy: -0.027
local terms energy: -65.494213
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -84.600596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.600596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.600596 (E_RNA)
where:
Base-Base interactions energy: -24.328
where: short stacking energy: -23.462
Base-Backbone interact. energy: -0.035
local terms energy: -60.238449
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -76.378307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.378307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.378307 (E_RNA)
where:
Base-Base interactions energy: -17.850
where: short stacking energy: -17.850
Base-Backbone interact. energy: -0.298
local terms energy: -58.229383
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -10.482
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: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -253.745925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.745925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.745925 (E_RNA)
where:
Base-Base interactions energy: -174.861
where: short stacking energy: -72.392
Base-Backbone interact. energy: -0.182
local terms energy: -78.703385
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -19.712
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: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -241.066027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.066027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.066027 (E_RNA)
where:
Base-Base interactions energy: -164.326
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.628
local terms energy: -76.112196
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -13.291
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: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -213.398046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.398046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.398046 (E_RNA)
where:
Base-Base interactions energy: -137.807
where: short stacking energy: -72.362
Base-Backbone interact. energy: -0.384
local terms energy: -75.207567
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -20.651
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: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -190.011859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.011859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.011859 (E_RNA)
where:
Base-Base interactions energy: -118.990
where: short stacking energy: -60.776
Base-Backbone interact. energy: -0.174
local terms energy: -70.848323
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -11.635
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -182.369435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.369435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.369435 (E_RNA)
where:
Base-Base interactions energy: -111.218
where: short stacking energy: -43.985
Base-Backbone interact. energy: -0.128
local terms energy: -71.023580
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -11.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -99.657065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.657065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.657065 (E_RNA)
where:
Base-Base interactions energy: -44.755
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.209
local terms energy: -54.693344
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -95.817235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.817235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.817235 (E_RNA)
where:
Base-Base interactions energy: -39.574
where: short stacking energy: -33.947
Base-Backbone interact. energy: -0.469
local terms energy: -55.774271
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -90.914523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.914523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.914523 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -39.692
Base-Backbone interact. energy: -0.148
local terms energy: -45.524113
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -8.743
flat angles C4'-P-C4' energy: -7.332
flat angles P-C4'-P energy: -12.134
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: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -82.887462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.887462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.887462 (E_RNA)
where:
Base-Base interactions energy: -30.818
where: short stacking energy: -25.899
Base-Backbone interact. energy: -0.072
local terms energy: -51.996677
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -80.563907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.563907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.563907 (E_RNA)
where:
Base-Base interactions energy: -28.931
where: short stacking energy: -20.699
Base-Backbone interact. energy: -0.669
local terms energy: -50.964574
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -244.099302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.099302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.099302 (E_RNA)
where:
Base-Base interactions energy: -157.193
where: short stacking energy: -69.901
Base-Backbone interact. energy: -2.476
local terms energy: -84.430098
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -244.999535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.999535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.999535 (E_RNA)
where:
Base-Base interactions energy: -168.347
where: short stacking energy: -62.465
Base-Backbone interact. energy: -1.669
local terms energy: -74.982926
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -222.789360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.789360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.789360 (E_RNA)
where:
Base-Base interactions energy: -137.270
where: short stacking energy: -71.897
Base-Backbone interact. energy: -0.542
local terms energy: -84.977719
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -191.567818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.567818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.567818 (E_RNA)
where:
Base-Base interactions energy: -118.107
where: short stacking energy: -58.750
Base-Backbone interact. energy: -0.312
local terms energy: -73.149210
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -161.197158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.197158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.197158 (E_RNA)
where:
Base-Base interactions energy: -92.918
where: short stacking energy: -42.095
Base-Backbone interact. energy: -0.727
local terms energy: -67.552295
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -107.628429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.628429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.628429 (E_RNA)
where:
Base-Base interactions energy: -45.761
where: short stacking energy: -45.761
Base-Backbone interact. energy: -0.097
local terms energy: -61.770411
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -8.699
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: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -101.545951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.545951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.545951 (E_RNA)
where:
Base-Base interactions energy: -49.379
where: short stacking energy: -35.103
Base-Backbone interact. energy: -0.356
local terms energy: -51.811476
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.317
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: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -91.893344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.893344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.893344 (E_RNA)
where:
Base-Base interactions energy: -38.213
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.520
local terms energy: -53.160087
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: 2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -80.100126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.100126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.100126 (E_RNA)
where:
Base-Base interactions energy: -21.748
where: short stacking energy: -21.748
Base-Backbone interact. energy: -0.099
local terms energy: -58.253136
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -85.137391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.137391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.137391 (E_RNA)
where:
Base-Base interactions energy: -21.071
where: short stacking energy: -20.458
Base-Backbone interact. energy: -0.117
local terms energy: -63.949653
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -7.319
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: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -245.490332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.490332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.490332 (E_RNA)
where:
Base-Base interactions energy: -177.916
where: short stacking energy: -66.782
Base-Backbone interact. energy: -1.736
local terms energy: -65.838237
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -241.243001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.243001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.243001 (E_RNA)
where:
Base-Base interactions energy: -155.364
where: short stacking energy: -76.154
Base-Backbone interact. energy: -0.031
local terms energy: -85.847286
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -224.880282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.880282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.880282 (E_RNA)
where:
Base-Base interactions energy: -142.589
where: short stacking energy: -79.831
Base-Backbone interact. energy: -0.099
local terms energy: -82.192364
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -182.796853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.796853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.796853 (E_RNA)
where:
Base-Base interactions energy: -117.238
where: short stacking energy: -56.191
Base-Backbone interact. energy: -0.589
local terms energy: -64.969653
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -14.735
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: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -167.102018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.102018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.102018 (E_RNA)
where:
Base-Base interactions energy: -96.593
where: short stacking energy: -56.532
Base-Backbone interact. energy: -0.042
local terms energy: -70.466748
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -11.753
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: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -106.115596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.115596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.115596 (E_RNA)
where:
Base-Base interactions energy: -42.401
where: short stacking energy: -42.208
Base-Backbone interact. energy: -0.012
local terms energy: -63.702161
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -9.550
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: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -95.189592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.189592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.189592 (E_RNA)
where:
Base-Base interactions energy: -40.055
where: short stacking energy: -36.239
Base-Backbone interact. energy: -0.016
local terms energy: -55.118693
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -120.458979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.458979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.458979 (E_RNA)
where:
Base-Base interactions energy: -68.334
where: short stacking energy: -41.756
Base-Backbone interact. energy: -0.101
local terms energy: -52.024428
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -8.262
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: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -108.924990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.924990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.924990 (E_RNA)
where:
Base-Base interactions energy: -58.932
where: short stacking energy: -36.050
Base-Backbone interact. energy: 0.369
local terms energy: -50.361441
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -6.434
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: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -81.104289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.104289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.104289 (E_RNA)
where:
Base-Base interactions energy: -33.260
where: short stacking energy: -30.681
Base-Backbone interact. energy: 0.132
local terms energy: -47.976144
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -7.674
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -252.953785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.953785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.953785 (E_RNA)
where:
Base-Base interactions energy: -172.366
where: short stacking energy: -65.927
Base-Backbone interact. energy: -0.605
local terms energy: -79.982809
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -245.626995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.626995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.626995 (E_RNA)
where:
Base-Base interactions energy: -166.543
where: short stacking energy: -69.019
Base-Backbone interact. energy: -1.120
local terms energy: -77.963828
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -202.801463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.801463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.801463 (E_RNA)
where:
Base-Base interactions energy: -123.710
where: short stacking energy: -63.619
Base-Backbone interact. energy: -0.422
local terms energy: -78.669390
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -207.245980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.245980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.245980 (E_RNA)
where:
Base-Base interactions energy: -126.857
where: short stacking energy: -69.161
Base-Backbone interact. energy: -1.279
local terms energy: -79.109408
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -185.796881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.796881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.796881 (E_RNA)
where:
Base-Base interactions energy: -121.375
where: short stacking energy: -55.641
Base-Backbone interact. energy: -0.188
local terms energy: -64.234305
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -119.663545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.663545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.663545 (E_RNA)
where:
Base-Base interactions energy: -58.574
where: short stacking energy: -51.790
Base-Backbone interact. energy: -0.182
local terms energy: -60.907274
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -8.899
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: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -104.309088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.309088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.309088 (E_RNA)
where:
Base-Base interactions energy: -45.145
where: short stacking energy: -37.679
Base-Backbone interact. energy: -0.131
local terms energy: -59.033195
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -96.912497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.912497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.912497 (E_RNA)
where:
Base-Base interactions energy: -50.103
where: short stacking energy: -34.346
Base-Backbone interact. energy: -1.925
local terms energy: -44.884458
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -8.098
flat angles P-C4'-P energy: -1.719
tors. eta vs tors. theta energy: -4.513
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: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -84.839520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.839520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.839520 (E_RNA)
where:
Base-Base interactions energy: -47.304
where: short stacking energy: -31.655
Base-Backbone interact. energy: -0.097
local terms energy: -37.438677
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: 3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -78.566056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.566056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.566056 (E_RNA)
where:
Base-Base interactions energy: -30.532
where: short stacking energy: -30.104
Base-Backbone interact. energy: -0.153
local terms energy: -47.881567
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -246.456783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.456783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.456783 (E_RNA)
where:
Base-Base interactions energy: -169.701
where: short stacking energy: -66.007
Base-Backbone interact. energy: -0.112
local terms energy: -76.643519
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -241.635681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.635681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.635681 (E_RNA)
where:
Base-Base interactions energy: -163.658
where: short stacking energy: -69.905
Base-Backbone interact. energy: -0.617
local terms energy: -77.360763
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -215.011065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.011065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.011065 (E_RNA)
where:
Base-Base interactions energy: -134.806
where: short stacking energy: -75.129
Base-Backbone interact. energy: -0.698
local terms energy: -79.507049
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -20.662
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: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -193.689473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.689473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.689473 (E_RNA)
where:
Base-Base interactions energy: -127.319
where: short stacking energy: -62.215
Base-Backbone interact. energy: -1.181
local terms energy: -65.188804
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -191.255879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.255879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.255879 (E_RNA)
where:
Base-Base interactions energy: -128.295
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.003
local terms energy: -62.958002
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -137.133338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.133338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.133338 (E_RNA)
where:
Base-Base interactions energy: -73.366
where: short stacking energy: -48.686
Base-Backbone interact. energy: -0.213
local terms energy: -63.554261
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -3.816
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: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -106.312088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.312088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.312088 (E_RNA)
where:
Base-Base interactions energy: -44.895
where: short stacking energy: -42.932
Base-Backbone interact. energy: -0.068
local terms energy: -61.349312
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -96.256429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.256429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.256429 (E_RNA)
where:
Base-Base interactions energy: -32.224
where: short stacking energy: -31.737
Base-Backbone interact. energy: -0.084
local terms energy: -63.948553
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -94.781609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.781609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.781609 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -36.247
Base-Backbone interact. energy: 0.299
local terms energy: -58.680342
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -81.414947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.414947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.414947 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -28.156
Base-Backbone interact. energy: 0.688
local terms energy: -48.194878
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: 0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -253.220559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.220559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.220559 (E_RNA)
where:
Base-Base interactions energy: -177.129
where: short stacking energy: -73.920
Base-Backbone interact. energy: -0.096
local terms energy: -75.994760
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -224.772998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.772998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.772998 (E_RNA)
where:
Base-Base interactions energy: -144.027
where: short stacking energy: -86.351
Base-Backbone interact. energy: -0.002
local terms energy: -80.743979
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -233.718369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.718369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.718369 (E_RNA)
where:
Base-Base interactions energy: -156.826
where: short stacking energy: -74.127
Base-Backbone interact. energy: 0.171
local terms energy: -77.063626
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -207.842484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.842484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.842484 (E_RNA)
where:
Base-Base interactions energy: -133.377
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.655
local terms energy: -73.810427
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -19.708
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -179.569302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.569302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.569302 (E_RNA)
where:
Base-Base interactions energy: -115.384
where: short stacking energy: -61.657
Base-Backbone interact. energy: 0.389
local terms energy: -64.574417
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -9.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -136.733190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.733190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.733190 (E_RNA)
where:
Base-Base interactions energy: -82.143
where: short stacking energy: -44.017
Base-Backbone interact. energy: 0.150
local terms energy: -54.739706
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -97.100442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.100442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.100442 (E_RNA)
where:
Base-Base interactions energy: -36.194
where: short stacking energy: -35.392
Base-Backbone interact. energy: -0.149
local terms energy: -60.757615
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -92.244531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.244531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.244531 (E_RNA)
where:
Base-Base interactions energy: -46.370
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.285
local terms energy: -45.589886
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -7.743
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: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -94.053498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.053498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.053498 (E_RNA)
where:
Base-Base interactions energy: -38.211
where: short stacking energy: -22.113
Base-Backbone interact. energy: -0.593
local terms energy: -55.249329
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -10.267
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: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -82.286201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.286201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.286201 (E_RNA)
where:
Base-Base interactions energy: -41.214
where: short stacking energy: -28.375
Base-Backbone interact. energy: -0.193
local terms energy: -40.878848
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -260.059498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.059498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.059498 (E_RNA)
where:
Base-Base interactions energy: -182.981
where: short stacking energy: -79.955
Base-Backbone interact. energy: -0.244
local terms energy: -76.834290
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -11.725
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: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -222.944751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.944751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.944751 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -71.874
Base-Backbone interact. energy: -0.628
local terms energy: -85.941573
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -23.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -210.814868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.814868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.814868 (E_RNA)
where:
Base-Base interactions energy: -128.294
where: short stacking energy: -72.336
Base-Backbone interact. energy: -1.218
local terms energy: -81.303125
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -14.347
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: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -235.019292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.019292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.019292 (E_RNA)
where:
Base-Base interactions energy: -160.999
where: short stacking energy: -65.327
Base-Backbone interact. energy: -0.356
local terms energy: -73.664674
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -8.182
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -12.975
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: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -175.987745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.987745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.987745 (E_RNA)
where:
Base-Base interactions energy: -117.450
where: short stacking energy: -53.038
Base-Backbone interact. energy: -0.291
local terms energy: -58.246443
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -208.278504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.278504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.278504 (E_RNA)
where:
Base-Base interactions energy: -133.253
where: short stacking energy: -68.199
Base-Backbone interact. energy: -0.418
local terms energy: -74.607251
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -100.240631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.240631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.240631 (E_RNA)
where:
Base-Base interactions energy: -43.192
where: short stacking energy: -38.613
Base-Backbone interact. energy: -0.277
local terms energy: -56.771315
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -8.376
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: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -98.948902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.948902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.948902 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.189
local terms energy: -61.586578
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -102.301140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.301140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.301140 (E_RNA)
where:
Base-Base interactions energy: -37.232
where: short stacking energy: -37.232
Base-Backbone interact. energy: -0.138
local terms energy: -64.930898
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -86.207307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.207307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.207307 (E_RNA)
where:
Base-Base interactions energy: -29.008
where: short stacking energy: -28.510
Base-Backbone interact. energy: -0.005
local terms energy: -57.194092
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -242.065268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.065268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.065268 (E_RNA)
where:
Base-Base interactions energy: -158.099
where: short stacking energy: -74.187
Base-Backbone interact. energy: -1.535
local terms energy: -82.431467
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -224.344939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.344939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.344939 (E_RNA)
where:
Base-Base interactions energy: -139.107
where: short stacking energy: -77.199
Base-Backbone interact. energy: 1.249
local terms energy: -86.486455
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -24.234
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: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -196.047376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.047376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.047376 (E_RNA)
where:
Base-Base interactions energy: -120.353
where: short stacking energy: -60.459
Base-Backbone interact. energy: -1.643
local terms energy: -74.050802
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -233.982461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.982461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.982461 (E_RNA)
where:
Base-Base interactions energy: -163.125
where: short stacking energy: -70.880
Base-Backbone interact. energy: -0.007
local terms energy: -70.850045
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -9.551
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: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -167.062588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.062588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.062588 (E_RNA)
where:
Base-Base interactions energy: -105.722
where: short stacking energy: -59.630
Base-Backbone interact. energy: -0.004
local terms energy: -61.335835
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -10.432
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: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -195.292096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.292096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.292096 (E_RNA)
where:
Base-Base interactions energy: -116.285
where: short stacking energy: -65.961
Base-Backbone interact. energy: -1.569
local terms energy: -77.437959
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -101.747929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.747929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.747929 (E_RNA)
where:
Base-Base interactions energy: -54.729
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.768
local terms energy: -46.251709
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -94.291331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.291331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.291331 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -31.872
Base-Backbone interact. energy: -0.053
local terms energy: -51.350427
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -84.308974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.308974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.308974 (E_RNA)
where:
Base-Base interactions energy: -32.403
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.141
local terms energy: -51.764473
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -2.070
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: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -75.805599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.805599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.805599 (E_RNA)
where:
Base-Base interactions energy: -29.156
where: short stacking energy: -14.223
Base-Backbone interact. energy: -0.774
local terms energy: -45.875302
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: 7.023
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: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -257.680429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.680429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.680429 (E_RNA)
where:
Base-Base interactions energy: -168.593
where: short stacking energy: -73.245
Base-Backbone interact. energy: -0.872
local terms energy: -88.215276
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -222.251050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.251050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.251050 (E_RNA)
where:
Base-Base interactions energy: -143.405
where: short stacking energy: -82.778
Base-Backbone interact. energy: -0.051
local terms energy: -78.794376
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -24.559
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: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -233.145187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.145187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.145187 (E_RNA)
where:
Base-Base interactions energy: -161.481
where: short stacking energy: -62.422
Base-Backbone interact. energy: -0.144
local terms energy: -71.520502
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -15.701
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: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -192.310959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.310959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.310959 (E_RNA)
where:
Base-Base interactions energy: -123.417
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.140
local terms energy: -68.753822
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -13.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -178.749728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.749728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.749728 (E_RNA)
where:
Base-Base interactions energy: -107.433
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.371
local terms energy: -70.945701
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -137.110147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.110147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.110147 (E_RNA)
where:
Base-Base interactions energy: -74.242
where: short stacking energy: -41.080
Base-Backbone interact. energy: -0.180
local terms energy: -62.687675
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -101.661341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.661341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.661341 (E_RNA)
where:
Base-Base interactions energy: -43.417
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.755
local terms energy: -57.489799
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -85.223835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.223835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.223835 (E_RNA)
where:
Base-Base interactions energy: -24.015
where: short stacking energy: -23.242
Base-Backbone interact. energy: 0.133
local terms energy: -61.342695
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -96.070227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.070227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.070227 (E_RNA)
where:
Base-Base interactions energy: -37.791
where: short stacking energy: -37.791
Base-Backbone interact. energy: -0.087
local terms energy: -58.192298
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -83.873887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.873887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.873887 (E_RNA)
where:
Base-Base interactions energy: -26.679
where: short stacking energy: -10.996
Base-Backbone interact. energy: 0.582
local terms energy: -57.777020
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -247.763465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.763465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.763465 (E_RNA)
where:
Base-Base interactions energy: -162.609
where: short stacking energy: -67.313
Base-Backbone interact. energy: -0.355
local terms energy: -84.798606
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -236.441202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.441202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.441202 (E_RNA)
where:
Base-Base interactions energy: -157.105
where: short stacking energy: -66.156
Base-Backbone interact. energy: 0.686
local terms energy: -80.021658
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -208.216391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.216391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.216391 (E_RNA)
where:
Base-Base interactions energy: -127.727
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.044
local terms energy: -80.445045
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -202.464700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.464700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.464700 (E_RNA)
where:
Base-Base interactions energy: -125.910
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.025
local terms energy: -76.529832
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -10.351
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: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -194.164094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.164094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.164094 (E_RNA)
where:
Base-Base interactions energy: -125.455
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.372
local terms energy: -68.337154
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -104.545886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.545886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.545886 (E_RNA)
where:
Base-Base interactions energy: -55.810
where: short stacking energy: -35.371
Base-Backbone interact. energy: -0.234
local terms energy: -48.501968
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: 0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -122.702165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.702165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.702165 (E_RNA)
where:
Base-Base interactions energy: -69.286
where: short stacking energy: -32.005
Base-Backbone interact. energy: -0.753
local terms energy: -52.662331
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -90.056654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.056654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.056654 (E_RNA)
where:
Base-Base interactions energy: -26.605
where: short stacking energy: -26.605
Base-Backbone interact. energy: -0.328
local terms energy: -63.124454
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -99.937557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.937557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.937557 (E_RNA)
where:
Base-Base interactions energy: -45.198
where: short stacking energy: -42.889
Base-Backbone interact. energy: -0.047
local terms energy: -54.691911
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -2.790
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -89.136300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.136300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.136300 (E_RNA)
where:
Base-Base interactions energy: -46.234
where: short stacking energy: -39.871
Base-Backbone interact. energy: -0.720
local terms energy: -42.182490
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -256.129798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.129798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.129798 (E_RNA)
where:
Base-Base interactions energy: -175.287
where: short stacking energy: -71.291
Base-Backbone interact. energy: -0.119
local terms energy: -80.723273
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -246.019006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.019006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.019006 (E_RNA)
where:
Base-Base interactions energy: -168.104
where: short stacking energy: -62.153
Base-Backbone interact. energy: -0.080
local terms energy: -77.834460
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -14.814
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: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -221.068905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.068905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.068905 (E_RNA)
where:
Base-Base interactions energy: -139.614
where: short stacking energy: -79.279
Base-Backbone interact. energy: -0.089
local terms energy: -81.366293
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -192.516973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.516973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.516973 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -54.290
Base-Backbone interact. energy: -0.062
local terms energy: -68.488474
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -8.032
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: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -214.057681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.057681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.057681 (E_RNA)
where:
Base-Base interactions energy: -139.877
where: short stacking energy: -73.278
Base-Backbone interact. energy: -0.374
local terms energy: -73.806350
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -122.571625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.571625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.571625 (E_RNA)
where:
Base-Base interactions energy: -62.218
where: short stacking energy: -37.973
Base-Backbone interact. energy: -1.391
local terms energy: -58.962474
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -134.304658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.304658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.304658 (E_RNA)
where:
Base-Base interactions energy: -73.456
where: short stacking energy: -37.833
Base-Backbone interact. energy: -0.870
local terms energy: -59.979315
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -8.595
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: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -88.619344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.619344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.619344 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -34.669
Base-Backbone interact. energy: -0.252
local terms energy: -53.698162
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -86.734297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.734297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.734297 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -23.153
Base-Backbone interact. energy: 0.283
local terms energy: -56.407507
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -86.966614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.966614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.966614 (E_RNA)
where:
Base-Base interactions energy: -27.522
where: short stacking energy: -26.157
Base-Backbone interact. energy: 1.485
local terms energy: -60.930201
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -4.407
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: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -258.146833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.146833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.146833 (E_RNA)
where:
Base-Base interactions energy: -176.376
where: short stacking energy: -75.751
Base-Backbone interact. energy: -0.796
local terms energy: -80.974948
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -221.402622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.402622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.402622 (E_RNA)
where:
Base-Base interactions energy: -138.754
where: short stacking energy: -71.927
Base-Backbone interact. energy: -0.088
local terms energy: -82.560534
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -234.535154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.535154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.535154 (E_RNA)
where:
Base-Base interactions energy: -159.970
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.188
local terms energy: -74.377709
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -15.906
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -203.701294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.701294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.701294 (E_RNA)
where:
Base-Base interactions energy: -124.633
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.551
local terms energy: -78.516556
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -180.672160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.672160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.672160 (E_RNA)
where:
Base-Base interactions energy: -111.184
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.726
local terms energy: -68.762603
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -13.245
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: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -129.329006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.329006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.329006 (E_RNA)
where:
Base-Base interactions energy: -78.416
where: short stacking energy: -35.096
Base-Backbone interact. energy: 3.052
local terms energy: -53.965345
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -113.353633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.353633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.353633 (E_RNA)
where:
Base-Base interactions energy: -46.770
where: short stacking energy: -27.355
Base-Backbone interact. energy: -0.604
local terms energy: -65.979699
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -102.774525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.774525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.774525 (E_RNA)
where:
Base-Base interactions energy: -41.455
where: short stacking energy: -41.455
Base-Backbone interact. energy: -0.095
local terms energy: -61.225092
where:
bonds (distance) C4'-P energy: -6.910
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -92.916490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.916490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.916490 (E_RNA)
where:
Base-Base interactions energy: -40.734
where: short stacking energy: -30.235
Base-Backbone interact. energy: 1.864
local terms energy: -54.046992
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -83.059009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.059009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.059009 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -23.316
Base-Backbone interact. energy: -0.514
local terms energy: -50.623968
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -1.080
tors. eta vs tors. theta energy: -0.642
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: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -255.652946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.652946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.652946 (E_RNA)
where:
Base-Base interactions energy: -179.170
where: short stacking energy: -69.467
Base-Backbone interact. energy: -0.293
local terms energy: -76.189208
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -222.470458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.470458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.470458 (E_RNA)
where:
Base-Base interactions energy: -138.502
where: short stacking energy: -76.192
Base-Backbone interact. energy: -1.294
local terms energy: -82.674669
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -236.626852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.626852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.626852 (E_RNA)
where:
Base-Base interactions energy: -164.336
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.328
local terms energy: -71.962710
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -194.914453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.914453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.914453 (E_RNA)
where:
Base-Base interactions energy: -120.387
where: short stacking energy: -57.883
Base-Backbone interact. energy: -0.914
local terms energy: -73.612990
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -18.821
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: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -173.871623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.871623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.871623 (E_RNA)
where:
Base-Base interactions energy: -108.312
where: short stacking energy: -56.099
Base-Backbone interact. energy: -0.043
local terms energy: -65.516912
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -166.469934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.469934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.469934 (E_RNA)
where:
Base-Base interactions energy: -94.021
where: short stacking energy: -52.053
Base-Backbone interact. energy: -0.011
local terms energy: -72.437937
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -99.238989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.238989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.238989 (E_RNA)
where:
Base-Base interactions energy: -45.039
where: short stacking energy: -41.324
Base-Backbone interact. energy: -0.220
local terms energy: -53.980349
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -5.824
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -99.051749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.051749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.051749 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -41.551
Base-Backbone interact. energy: -0.583
local terms energy: -55.939404
where:
bonds (distance) C4'-P energy: -7.298
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -97.117945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.117945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.117945 (E_RNA)
where:
Base-Base interactions energy: -41.416
where: short stacking energy: -33.026
Base-Backbone interact. energy: -0.149
local terms energy: -55.552662
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.134
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: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -84.305535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.305535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.305535 (E_RNA)
where:
Base-Base interactions energy: -37.513
where: short stacking energy: -28.564
Base-Backbone interact. energy: -1.924
local terms energy: -44.868109
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: 8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -253.703703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.703703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.703703 (E_RNA)
where:
Base-Base interactions energy: -173.799
where: short stacking energy: -71.010
Base-Backbone interact. energy: -0.295
local terms energy: -79.609385
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -15.748
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: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -244.364896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.364896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.364896 (E_RNA)
where:
Base-Base interactions energy: -180.594
where: short stacking energy: -67.650
Base-Backbone interact. energy: 0.149
local terms energy: -63.919754
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -221.075476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075476 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -79.385
Base-Backbone interact. energy: -0.072
local terms energy: -80.834812
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -195.840692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.840692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.840692 (E_RNA)
where:
Base-Base interactions energy: -125.734
where: short stacking energy: -65.168
Base-Backbone interact. energy: -0.682
local terms energy: -69.425446
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -176.986656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.986656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.986656 (E_RNA)
where:
Base-Base interactions energy: -111.974
where: short stacking energy: -50.493
Base-Backbone interact. energy: -0.664
local terms energy: -64.348321
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -178.036347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.036347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.036347 (E_RNA)
where:
Base-Base interactions energy: -105.844
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.085
local terms energy: -72.107129
where:
bonds (distance) C4'-P energy: -8.321
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -97.970976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.970976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.970976 (E_RNA)
where:
Base-Base interactions energy: -38.239
where: short stacking energy: -27.528
Base-Backbone interact. energy: -0.077
local terms energy: -59.654757
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -86.374082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.374082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.374082 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -32.331
Base-Backbone interact. energy: -0.968
local terms energy: -52.843868
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -94.347317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.347317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.347317 (E_RNA)
where:
Base-Base interactions energy: -40.130
where: short stacking energy: -26.916
Base-Backbone interact. energy: 0.324
local terms energy: -54.541228
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -5.056
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: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -80.149787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.149787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.149787 (E_RNA)
where:
Base-Base interactions energy: -28.981
where: short stacking energy: -26.055
Base-Backbone interact. energy: -1.949
local terms energy: -49.219056
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -7.423
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: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -258.257811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.257811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.257811 (E_RNA)
where:
Base-Base interactions energy: -178.222
where: short stacking energy: -72.779
Base-Backbone interact. energy: -0.159
local terms energy: -79.877170
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -258.581943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.581943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.581943 (E_RNA)
where:
Base-Base interactions energy: -183.210
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.611
local terms energy: -74.761215
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -9.715
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: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -194.542612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.542612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.542612 (E_RNA)
where:
Base-Base interactions energy: -115.509
where: short stacking energy: -59.590
Base-Backbone interact. energy: -0.170
local terms energy: -78.863810
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -12.620
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: 194
Temperature: 1.050000
Total energy: -195.738077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.738077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.738077 (E_RNA)
where:
Base-Base interactions energy: -132.508
where: short stacking energy: -69.965
Base-Backbone interact. energy: -1.221
local terms energy: -62.008991
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -8.945
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: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -174.494886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.494886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.494886 (E_RNA)
where:
Base-Base interactions energy: -104.303
where: short stacking energy: -64.909
Base-Backbone interact. energy: -0.167
local terms energy: -70.024405
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -14.057
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: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -152.948230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.948230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.948230 (E_RNA)
where:
Base-Base interactions energy: -90.515
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.140
local terms energy: -62.293583
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -13.262
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: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -107.207787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.207787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.207787 (E_RNA)
where:
Base-Base interactions energy: -49.343
where: short stacking energy: -49.343
Base-Backbone interact. energy: 1.082
local terms energy: -58.947361
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -0.111
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: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -78.667981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.667981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.667981 (E_RNA)
where:
Base-Base interactions energy: -22.663
where: short stacking energy: -17.471
Base-Backbone interact. energy: 0.894
local terms energy: -56.898735
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -11.806
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: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -84.342572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.342572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.342572 (E_RNA)
where:
Base-Base interactions energy: -36.625
where: short stacking energy: -29.542
Base-Backbone interact. energy: 0.282
local terms energy: -47.999989
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -5.469
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: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -77.269060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.269060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.269060 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -26.568
Base-Backbone interact. energy: -0.431
local terms energy: -44.194248
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -0.176
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: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -234.586626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.586626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.586626 (E_RNA)
where:
Base-Base interactions energy: -170.957
where: short stacking energy: -65.068
Base-Backbone interact. energy: 2.026
local terms energy: -65.656543
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -245.154005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.154005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.154005 (E_RNA)
where:
Base-Base interactions energy: -166.029
where: short stacking energy: -61.483
Base-Backbone interact. energy: 0.957
local terms energy: -80.081908
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -191.173353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.173353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.173353 (E_RNA)
where:
Base-Base interactions energy: -111.055
where: short stacking energy: -57.333
Base-Backbone interact. energy: -0.105
local terms energy: -80.012869
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -18.758
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -194.449436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.449436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.449436 (E_RNA)
where:
Base-Base interactions energy: -121.316
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.294
local terms energy: -72.839358
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -190.155675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.155675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.155675 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.513
local terms energy: -70.473951
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -174.299003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.299003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.299003 (E_RNA)
where:
Base-Base interactions energy: -104.487
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.137
local terms energy: -69.674895
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -98.015256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.015256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.015256 (E_RNA)
where:
Base-Base interactions energy: -40.745
where: short stacking energy: -33.116
Base-Backbone interact. energy: -0.535
local terms energy: -56.735622
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -108.776471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.776471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.776471 (E_RNA)
where:
Base-Base interactions energy: -46.860
where: short stacking energy: -38.001
Base-Backbone interact. energy: -0.240
local terms energy: -61.677239
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -93.340805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.340805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.340805 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -25.226
Base-Backbone interact. energy: -0.149
local terms energy: -52.974518
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -83.546296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.546296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.546296 (E_RNA)
where:
Base-Base interactions energy: -30.399
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.070
local terms energy: -53.077585
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -6.570
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: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -253.278529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.278529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.278529 (E_RNA)
where:
Base-Base interactions energy: -170.112
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.119
local terms energy: -83.048068
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -250.174437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.174437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.174437 (E_RNA)
where:
Base-Base interactions energy: -165.944
where: short stacking energy: -54.910
Base-Backbone interact. energy: -0.258
local terms energy: -83.972467
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -15.458
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -203.196508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.196508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.196508 (E_RNA)
where:
Base-Base interactions energy: -131.335
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.303
local terms energy: -71.558148
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -209.901044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.901044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.901044 (E_RNA)
where:
Base-Base interactions energy: -129.804
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.825
local terms energy: -79.272739
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -9.794
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: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -167.844507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.844507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.844507 (E_RNA)
where:
Base-Base interactions energy: -92.588
where: short stacking energy: -50.742
Base-Backbone interact. energy: -0.047
local terms energy: -75.210162
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -136.140696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.140696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.140696 (E_RNA)
where:
Base-Base interactions energy: -72.612
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.205
local terms energy: -63.324538
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -103.947039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.947039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.947039 (E_RNA)
where:
Base-Base interactions energy: -51.342
where: short stacking energy: -30.482
Base-Backbone interact. energy: -0.115
local terms energy: -52.489780
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -94.025155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.025155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.025155 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -25.941
Base-Backbone interact. energy: -0.248
local terms energy: -59.556591
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -75.028272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.028272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.028272 (E_RNA)
where:
Base-Base interactions energy: -25.952
where: short stacking energy: -25.952
Base-Backbone interact. energy: -0.273
local terms energy: -48.803435
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -79.451172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.451172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.451172 (E_RNA)
where:
Base-Base interactions energy: -25.652
where: short stacking energy: -23.485
Base-Backbone interact. energy: -0.120
local terms energy: -53.679167
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -7.199
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: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -248.847040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.847040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.847040 (E_RNA)
where:
Base-Base interactions energy: -174.006
where: short stacking energy: -72.878
Base-Backbone interact. energy: -0.073
local terms energy: -74.767442
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -8.834
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: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -252.509247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.509247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.509247 (E_RNA)
where:
Base-Base interactions energy: -177.049
where: short stacking energy: -69.286
Base-Backbone interact. energy: -0.240
local terms energy: -75.220102
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -216.388374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.388374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.388374 (E_RNA)
where:
Base-Base interactions energy: -130.344
where: short stacking energy: -73.003
Base-Backbone interact. energy: -0.429
local terms energy: -85.615276
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -24.667
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: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -200.961604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.961604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.961604 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.030
local terms energy: -80.140782
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -157.694962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.694962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.694962 (E_RNA)
where:
Base-Base interactions energy: -102.392
where: short stacking energy: -61.879
Base-Backbone interact. energy: 0.121
local terms energy: -55.424072
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -136.193170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.193170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.193170 (E_RNA)
where:
Base-Base interactions energy: -77.951
where: short stacking energy: -38.638
Base-Backbone interact. energy: -0.342
local terms energy: -57.899854
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -4.584
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: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -107.258033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.258033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.258033 (E_RNA)
where:
Base-Base interactions energy: -45.707
where: short stacking energy: -43.943
Base-Backbone interact. energy: -0.348
local terms energy: -61.202572
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -84.213552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.213552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.213552 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.295
local terms energy: -51.085883
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -10.069
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: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -94.123623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.123623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.123623 (E_RNA)
where:
Base-Base interactions energy: -43.258
where: short stacking energy: -43.358
Base-Backbone interact. energy: -1.550
local terms energy: -49.315297
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -73.147819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.147819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.147819 (E_RNA)
where:
Base-Base interactions energy: -26.922
where: short stacking energy: -22.833
Base-Backbone interact. energy: -0.835
local terms energy: -45.391697
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -6.778
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: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -259.428955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.428955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.428955 (E_RNA)
where:
Base-Base interactions energy: -182.970
where: short stacking energy: -64.740
Base-Backbone interact. energy: -0.640
local terms energy: -75.818090
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -249.136386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.136386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.136386 (E_RNA)
where:
Base-Base interactions energy: -172.608
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.574
local terms energy: -75.954475
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -215.984468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.984468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.984468 (E_RNA)
where:
Base-Base interactions energy: -135.107
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.505
local terms energy: -80.372417
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -19.139
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: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -197.870723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.870723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.870723 (E_RNA)
where:
Base-Base interactions energy: -128.582
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.001
local terms energy: -69.287902
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -175.609318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.609318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.609318 (E_RNA)
where:
Base-Base interactions energy: -102.823
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.013
local terms energy: -72.773831
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -134.235199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.235199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.235199 (E_RNA)
where:
Base-Base interactions energy: -66.457
where: short stacking energy: -36.654
Base-Backbone interact. energy: -0.136
local terms energy: -67.642513
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -93.244272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.244272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.244272 (E_RNA)
where:
Base-Base interactions energy: -36.517
where: short stacking energy: -33.285
Base-Backbone interact. energy: -0.048
local terms energy: -56.679228
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -100.000578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.000578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.000578 (E_RNA)
where:
Base-Base interactions energy: -46.304
where: short stacking energy: -38.438
Base-Backbone interact. energy: 0.047
local terms energy: -53.743686
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -93.139855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.139855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.139855 (E_RNA)
where:
Base-Base interactions energy: -37.648
where: short stacking energy: -36.860
Base-Backbone interact. energy: -0.051
local terms energy: -55.441227
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -78.959052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.959052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.959052 (E_RNA)
where:
Base-Base interactions energy: -26.612
where: short stacking energy: -26.361
Base-Backbone interact. energy: -1.532
local terms energy: -50.815632
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: 0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -255.638960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.638960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.638960 (E_RNA)
where:
Base-Base interactions energy: -172.288
where: short stacking energy: -68.558
Base-Backbone interact. energy: -1.045
local terms energy: -82.305422
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -238.316339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.316339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.316339 (E_RNA)
where:
Base-Base interactions energy: -163.910
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.236
local terms energy: -74.169708
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -210.553901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.553901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.553901 (E_RNA)
where:
Base-Base interactions energy: -133.230
where: short stacking energy: -68.782
Base-Backbone interact. energy: -0.259
local terms energy: -77.064601
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -208.307450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.307450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.307450 (E_RNA)
where:
Base-Base interactions energy: -129.210
where: short stacking energy: -62.000
Base-Backbone interact. energy: 0.262
local terms energy: -79.359261
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -19.906
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -162.201309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.201309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.201309 (E_RNA)
where:
Base-Base interactions energy: -106.206
where: short stacking energy: -48.775
Base-Backbone interact. energy: -1.796
local terms energy: -54.199357
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -8.305
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: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -155.585220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.585220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.585220 (E_RNA)
where:
Base-Base interactions energy: -99.636
where: short stacking energy: -47.854
Base-Backbone interact. energy: -0.209
local terms energy: -55.739956
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -101.726338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.726338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.726338 (E_RNA)
where:
Base-Base interactions energy: -44.210
where: short stacking energy: -22.712
Base-Backbone interact. energy: -0.658
local terms energy: -56.857878
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -101.479294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.479294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.479294 (E_RNA)
where:
Base-Base interactions energy: -47.029
where: short stacking energy: -46.196
Base-Backbone interact. energy: -0.437
local terms energy: -54.013131
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -79.034561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.034561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.034561 (E_RNA)
where:
Base-Base interactions energy: -23.331
where: short stacking energy: -23.631
Base-Backbone interact. energy: -0.219
local terms energy: -55.484227
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -89.326163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.326163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.326163 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -30.718
Base-Backbone interact. energy: -0.951
local terms energy: -53.360308
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -249.663097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.663097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.663097 (E_RNA)
where:
Base-Base interactions energy: -173.525
where: short stacking energy: -69.989
Base-Backbone interact. energy: -0.110
local terms energy: -76.027805
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -10.241
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: 2, replica: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -235.701695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.701695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.701695 (E_RNA)
where:
Base-Base interactions energy: -160.160
where: short stacking energy: -71.138
Base-Backbone interact. energy: -0.830
local terms energy: -74.711372
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -12.460
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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -218.557578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.557578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.557578 (E_RNA)
where:
Base-Base interactions energy: -137.904
where: short stacking energy: -76.819
Base-Backbone interact. energy: -1.422
local terms energy: -79.231586
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -185.406739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.406739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.406739 (E_RNA)
where:
Base-Base interactions energy: -106.927
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.434
local terms energy: -78.045444
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -171.963092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.963092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.963092 (E_RNA)
where:
Base-Base interactions energy: -100.192
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.127
local terms energy: -71.644238
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -150.632952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.632952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.632952 (E_RNA)
where:
Base-Base interactions energy: -88.263
where: short stacking energy: -38.724
Base-Backbone interact. energy: -0.801
local terms energy: -61.568976
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -8.835
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: 200
Temperature: 1.200000
Total energy: -100.990130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.990130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.990130 (E_RNA)
where:
Base-Base interactions energy: -45.274
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.009
local terms energy: -55.707117
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -3.305
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -84.412508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.412508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.412508 (E_RNA)
where:
Base-Base interactions energy: -30.034
where: short stacking energy: -29.171
Base-Backbone interact. energy: -0.118
local terms energy: -54.260797
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -98.727409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.727409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.727409 (E_RNA)
where:
Base-Base interactions energy: -38.654
where: short stacking energy: -34.864
Base-Backbone interact. energy: -0.493
local terms energy: -59.580159
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -4.091
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: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -77.830680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.830680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.830680 (E_RNA)
where:
Base-Base interactions energy: -26.739
where: short stacking energy: -24.146
Base-Backbone interact. energy: -0.236
local terms energy: -50.855276
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: 3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -252.319732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.319732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.319732 (E_RNA)
where:
Base-Base interactions energy: -166.666
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.331
local terms energy: -85.322535
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -230.859067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.859067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.859067 (E_RNA)
where:
Base-Base interactions energy: -144.261
where: short stacking energy: -79.515
Base-Backbone interact. energy: -0.045
local terms energy: -86.552824
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -237.499733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.499733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.499733 (E_RNA)
where:
Base-Base interactions energy: -152.404
where: short stacking energy: -76.648
Base-Backbone interact. energy: -0.317
local terms energy: -84.778809
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -13.216
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: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -206.647948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.647948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.647948 (E_RNA)
where:
Base-Base interactions energy: -131.947
where: short stacking energy: -67.081
Base-Backbone interact. energy: -2.148
local terms energy: -72.553307
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.241
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: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -170.374821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.374821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.374821 (E_RNA)
where:
Base-Base interactions energy: -97.594
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.170
local terms energy: -72.610699
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.024
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: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -152.573349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.573349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.573349 (E_RNA)
where:
Base-Base interactions energy: -83.167
where: short stacking energy: -47.492
Base-Backbone interact. energy: -0.013
local terms energy: -69.393219
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -7.665
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: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -99.023197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.023197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.023197 (E_RNA)
where:
Base-Base interactions energy: -38.637
where: short stacking energy: -35.608
Base-Backbone interact. energy: -0.224
local terms energy: -60.162396
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -104.849161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.849161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.849161 (E_RNA)
where:
Base-Base interactions energy: -41.838
where: short stacking energy: -41.838
Base-Backbone interact. energy: -0.068
local terms energy: -62.943601
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -87.531787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.531787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.531787 (E_RNA)
where:
Base-Base interactions energy: -37.428
where: short stacking energy: -25.013
Base-Backbone interact. energy: -0.888
local terms energy: -49.216322
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -80.369655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.369655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.369655 (E_RNA)
where:
Base-Base interactions energy: -25.792
where: short stacking energy: -25.792
Base-Backbone interact. energy: 0.723
local terms energy: -55.301051
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -8.406
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: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -227.711775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.711775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.711775 (E_RNA)
where:
Base-Base interactions energy: -141.645
where: short stacking energy: -78.414
Base-Backbone interact. energy: -0.017
local terms energy: -86.049751
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -23.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -240.857625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.857625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.857625 (E_RNA)
where:
Base-Base interactions energy: -163.732
where: short stacking energy: -70.304
Base-Backbone interact. energy: -1.061
local terms energy: -76.064805
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -209.687955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.687955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.687955 (E_RNA)
where:
Base-Base interactions energy: -129.217
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.126
local terms energy: -80.344503
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -8.278
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: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -230.975181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.975181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.975181 (E_RNA)
where:
Base-Base interactions energy: -157.857
where: short stacking energy: -80.713
Base-Backbone interact. energy: -1.252
local terms energy: -71.865493
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -194.999390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.999390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.999390 (E_RNA)
where:
Base-Base interactions energy: -121.007
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.035
local terms energy: -73.957932
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -5.241
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: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -109.354531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.354531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.354531 (E_RNA)
where:
Base-Base interactions energy: -46.680
where: short stacking energy: -46.680
Base-Backbone interact. energy: -0.044
local terms energy: -62.630132
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -7.640
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: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -152.647240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.647240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.647240 (E_RNA)
where:
Base-Base interactions energy: -84.161
where: short stacking energy: -37.960
Base-Backbone interact. energy: -0.019
local terms energy: -68.467509
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -90.829202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.829202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.829202 (E_RNA)
where:
Base-Base interactions energy: -41.882
where: short stacking energy: -28.311
Base-Backbone interact. energy: -0.151
local terms energy: -48.795720
where:
bonds (distance) C4'-P energy: -7.607
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -3.517
tors. eta vs tors. theta energy: -8.277
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: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -83.249824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.249824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.249824 (E_RNA)
where:
Base-Base interactions energy: -36.123
where: short stacking energy: -32.808
Base-Backbone interact. energy: -0.391
local terms energy: -46.735951
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -78.318758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.318758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.318758 (E_RNA)
where:
Base-Base interactions energy: -24.747
where: short stacking energy: -17.269
Base-Backbone interact. energy: 0.030
local terms energy: -53.601879
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -225.387430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.387430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.387430 (E_RNA)
where:
Base-Base interactions energy: -143.522
where: short stacking energy: -75.598
Base-Backbone interact. energy: -0.001
local terms energy: -81.863990
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -23.500
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: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -244.007526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.007526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.007526 (E_RNA)
where:
Base-Base interactions energy: -159.018
where: short stacking energy: -77.256
Base-Backbone interact. energy: -0.449
local terms energy: -84.540804
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -223.607589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.607589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.607589 (E_RNA)
where:
Base-Base interactions energy: -145.801
where: short stacking energy: -77.452
Base-Backbone interact. energy: -0.167
local terms energy: -77.639332
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -20.231
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: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -206.448374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.448374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.448374 (E_RNA)
where:
Base-Base interactions energy: -129.930
where: short stacking energy: -73.453
Base-Backbone interact. energy: -0.001
local terms energy: -76.517917
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -206.789011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.789011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.789011 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.706
local terms energy: -74.128539
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -176.103852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.103852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.103852 (E_RNA)
where:
Base-Base interactions energy: -105.527
where: short stacking energy: -57.565
Base-Backbone interact. energy: -0.158
local terms energy: -70.419611
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -99.516030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.516030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.516030 (E_RNA)
where:
Base-Base interactions energy: -47.617
where: short stacking energy: -27.870
Base-Backbone interact. energy: -0.838
local terms energy: -51.061275
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -91.330593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.330593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.330593 (E_RNA)
where:
Base-Base interactions energy: -30.712
where: short stacking energy: -30.712
Base-Backbone interact. energy: -0.391
local terms energy: -60.226880
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -6.665
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: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -91.606788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606788 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -24.221
Base-Backbone interact. energy: -0.316
local terms energy: -53.689577
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -87.373119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.373119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.373119 (E_RNA)
where:
Base-Base interactions energy: -24.762
where: short stacking energy: -23.421
Base-Backbone interact. energy: -0.065
local terms energy: -62.546454
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -253.301694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.301694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.301694 (E_RNA)
where:
Base-Base interactions energy: -168.753
where: short stacking energy: -76.068
Base-Backbone interact. energy: -0.449
local terms energy: -84.099772
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -223.605354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.605354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.605354 (E_RNA)
where:
Base-Base interactions energy: -137.783
where: short stacking energy: -81.407
Base-Backbone interact. energy: 0.076
local terms energy: -85.898964
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -21.159
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: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -197.667317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.667317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.667317 (E_RNA)
where:
Base-Base interactions energy: -123.375
where: short stacking energy: -54.972
Base-Backbone interact. energy: -0.231
local terms energy: -74.061234
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -8.595
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: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -201.399235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.399235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.399235 (E_RNA)
where:
Base-Base interactions energy: -124.400
where: short stacking energy: -59.864
Base-Backbone interact. energy: -2.139
local terms energy: -74.860557
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -227.309626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.309626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.309626 (E_RNA)
where:
Base-Base interactions energy: -153.117
where: short stacking energy: -67.304
Base-Backbone interact. energy: -0.298
local terms energy: -73.894514
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -174.883562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.883562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.883562 (E_RNA)
where:
Base-Base interactions energy: -106.506
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.015
local terms energy: -68.362643
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -152.527095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.527095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.527095 (E_RNA)
where:
Base-Base interactions energy: -89.454
where: short stacking energy: -49.066
Base-Backbone interact. energy: -0.007
local terms energy: -63.065426
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -7.957
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: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -101.448809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.448809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.448809 (E_RNA)
where:
Base-Base interactions energy: -46.190
where: short stacking energy: -37.256
Base-Backbone interact. energy: -0.461
local terms energy: -54.797376
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -10.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -82.923346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923346 (E_RNA)
where:
Base-Base interactions energy: -30.212
where: short stacking energy: -21.456
Base-Backbone interact. energy: -0.798
local terms energy: -51.913754
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -85.362933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.362933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.362933 (E_RNA)
where:
Base-Base interactions energy: -39.018
where: short stacking energy: -30.197
Base-Backbone interact. energy: -0.959
local terms energy: -45.385922
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -246.314745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.314745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.314745 (E_RNA)
where:
Base-Base interactions energy: -165.662
where: short stacking energy: -82.881
Base-Backbone interact. energy: -0.428
local terms energy: -80.224082
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -215.126414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.126414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.126414 (E_RNA)
where:
Base-Base interactions energy: -137.221
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.904
local terms energy: -77.001699
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -15.129
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: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -207.606751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.606751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.606751 (E_RNA)
where:
Base-Base interactions energy: -130.419
where: short stacking energy: -78.768
Base-Backbone interact. energy: -0.029
local terms energy: -77.159042
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -218.931283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.931283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.931283 (E_RNA)
where:
Base-Base interactions energy: -150.297
where: short stacking energy: -69.744
Base-Backbone interact. energy: 0.902
local terms energy: -69.536798
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -197.612133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.612133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.612133 (E_RNA)
where:
Base-Base interactions energy: -127.747
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.007
local terms energy: -69.858323
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -170.814358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.814358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.814358 (E_RNA)
where:
Base-Base interactions energy: -108.013
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.004
local terms energy: -62.796504
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -145.255806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.255806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.255806 (E_RNA)
where:
Base-Base interactions energy: -85.298
where: short stacking energy: -50.336
Base-Backbone interact. energy: 0.188
local terms energy: -60.146309
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -5.240
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: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -83.482454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.482454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.482454 (E_RNA)
where:
Base-Base interactions energy: -31.682
where: short stacking energy: -23.805
Base-Backbone interact. energy: -0.129
local terms energy: -51.671451
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -7.281
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -87.102721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.102721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.102721 (E_RNA)
where:
Base-Base interactions energy: -33.442
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.255
local terms energy: -53.405125
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -79.828824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.828824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.828824 (E_RNA)
where:
Base-Base interactions energy: -26.460
where: short stacking energy: -26.460
Base-Backbone interact. energy: -0.107
local terms energy: -53.262094
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: 2.114
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -246.441579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.441579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.441579 (E_RNA)
where:
Base-Base interactions energy: -162.308
where: short stacking energy: -80.153
Base-Backbone interact. energy: -0.493
local terms energy: -83.640448
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -22.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -223.393086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.393086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.393086 (E_RNA)
where:
Base-Base interactions energy: -148.370
where: short stacking energy: -76.145
Base-Backbone interact. energy: -0.009
local terms energy: -75.014592
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -12.768
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -251.077675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.077675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.077675 (E_RNA)
where:
Base-Base interactions energy: -179.528
where: short stacking energy: -72.388
Base-Backbone interact. energy: -0.751
local terms energy: -70.798439
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -11.963
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: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -196.280088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.280088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.280088 (E_RNA)
where:
Base-Base interactions energy: -123.346
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.098
local terms energy: -72.835645
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -10.019
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: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -188.262717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.262717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.262717 (E_RNA)
where:
Base-Base interactions energy: -114.806
where: short stacking energy: -53.247
Base-Backbone interact. energy: -0.025
local terms energy: -73.431657
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -177.800794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.800794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.800794 (E_RNA)
where:
Base-Base interactions energy: -104.352
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.259
local terms energy: -73.189387
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -148.952785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.952785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.952785 (E_RNA)
where:
Base-Base interactions energy: -87.324
where: short stacking energy: -49.761
Base-Backbone interact. energy: -0.001
local terms energy: -61.627270
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -101.200954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.200954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.200954 (E_RNA)
where:
Base-Base interactions energy: -48.305
where: short stacking energy: -25.381
Base-Backbone interact. energy: -1.333
local terms energy: -51.562777
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: 0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -92.597250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.597250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.597250 (E_RNA)
where:
Base-Base interactions energy: -44.172
where: short stacking energy: -34.435
Base-Backbone interact. energy: -0.404
local terms energy: -48.020919
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -75.353512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.353512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.353512 (E_RNA)
where:
Base-Base interactions energy: -20.993
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.245
local terms energy: -54.116208
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -244.386878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.386878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.386878 (E_RNA)
where:
Base-Base interactions energy: -166.023
where: short stacking energy: -80.567
Base-Backbone interact. energy: -0.358
local terms energy: -78.005694
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -5.347
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: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -255.703582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.703582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.703582 (E_RNA)
where:
Base-Base interactions energy: -180.676
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.598
local terms energy: -74.430313
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -14.229
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: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -223.869023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.869023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.869023 (E_RNA)
where:
Base-Base interactions energy: -138.848
where: short stacking energy: -69.656
Base-Backbone interact. energy: 0.453
local terms energy: -85.473946
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -210.317112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.317112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.317112 (E_RNA)
where:
Base-Base interactions energy: -129.312
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.045
local terms energy: -80.960626
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -189.409470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.409470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.409470 (E_RNA)
where:
Base-Base interactions energy: -119.932
where: short stacking energy: -61.122
Base-Backbone interact. energy: -0.052
local terms energy: -69.425073
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -163.918491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.918491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.918491 (E_RNA)
where:
Base-Base interactions energy: -100.342
where: short stacking energy: -57.407
Base-Backbone interact. energy: -0.149
local terms energy: -63.428039
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -106.425949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.425949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.425949 (E_RNA)
where:
Base-Base interactions energy: -43.073
where: short stacking energy: -40.324
Base-Backbone interact. energy: 0.575
local terms energy: -63.928461
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.873
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: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -91.701660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.701660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.701660 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -25.254
Base-Backbone interact. energy: -0.270
local terms energy: -62.647734
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -89.568540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.568540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.568540 (E_RNA)
where:
Base-Base interactions energy: -35.478
where: short stacking energy: -33.807
Base-Backbone interact. energy: -1.510
local terms energy: -52.580507
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -4.711
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: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -78.697225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.697225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.697225 (E_RNA)
where:
Base-Base interactions energy: -28.251
where: short stacking energy: -25.237
Base-Backbone interact. energy: -0.209
local terms energy: -50.237990
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -240.887087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.887087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.887087 (E_RNA)
where:
Base-Base interactions energy: -162.521
where: short stacking energy: -62.552
Base-Backbone interact. energy: -1.462
local terms energy: -76.903511
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -17.364
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: 208
Temperature: 0.950000
Total energy: -242.545160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.545160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.545160 (E_RNA)
where:
Base-Base interactions energy: -160.131
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.879
local terms energy: -81.535077
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -19.105
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: 208
Temperature: 1.000000
Total energy: -221.393181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.393181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.393181 (E_RNA)
where:
Base-Base interactions energy: -135.084
where: short stacking energy: -83.724
Base-Backbone interact. energy: -0.464
local terms energy: -85.846018
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -25.746
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: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -202.113106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.113106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.113106 (E_RNA)
where:
Base-Base interactions energy: -125.242
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.239
local terms energy: -76.632040
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -15.483
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: 208
Temperature: 1.100000
Total energy: -160.061138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.061138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.061138 (E_RNA)
where:
Base-Base interactions energy: -96.526
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.043
local terms energy: -63.492204
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -187.043725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.043725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.043725 (E_RNA)
where:
Base-Base interactions energy: -125.089
where: short stacking energy: -61.410
Base-Backbone interact. energy: -1.063
local terms energy: -60.891604
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -115.896599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.896599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.896599 (E_RNA)
where:
Base-Base interactions energy: -47.186
where: short stacking energy: -43.373
Base-Backbone interact. energy: -0.009
local terms energy: -68.701395
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -12.983
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: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -101.277577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.277577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.277577 (E_RNA)
where:
Base-Base interactions energy: -44.124
where: short stacking energy: -42.401
Base-Backbone interact. energy: 0.015
local terms energy: -57.168465
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -83.478122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.478122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.478122 (E_RNA)
where:
Base-Base interactions energy: -35.018
where: short stacking energy: -20.468
Base-Backbone interact. energy: 0.027
local terms energy: -48.486958
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -3.210
tors. eta vs tors. theta energy: 1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -90.451397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.451397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.451397 (E_RNA)
where:
Base-Base interactions energy: -35.125
where: short stacking energy: -30.014
Base-Backbone interact. energy: 0.518
local terms energy: -55.844735
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -244.780133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.780133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.780133 (E_RNA)
where:
Base-Base interactions energy: -163.881
where: short stacking energy: -64.207
Base-Backbone interact. energy: -2.141
local terms energy: -78.758060
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -244.396643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.396643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.396643 (E_RNA)
where:
Base-Base interactions energy: -156.824
where: short stacking energy: -76.655
Base-Backbone interact. energy: -2.052
local terms energy: -85.520885
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -23.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -218.175932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.175932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.175932 (E_RNA)
where:
Base-Base interactions energy: -132.644
where: short stacking energy: -76.092
Base-Backbone interact. energy: -0.001
local terms energy: -85.530797
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -194.262334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.262334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.262334 (E_RNA)
where:
Base-Base interactions energy: -118.620
where: short stacking energy: -72.384
Base-Backbone interact. energy: -0.034
local terms energy: -75.608503
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -162.647169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.647169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.647169 (E_RNA)
where:
Base-Base interactions energy: -96.894
where: short stacking energy: -52.626
Base-Backbone interact. energy: 1.773
local terms energy: -67.526511
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -12.364
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: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -125.223274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.223274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.223274 (E_RNA)
where:
Base-Base interactions energy: -57.139
where: short stacking energy: -39.828
Base-Backbone interact. energy: -0.003
local terms energy: -68.081827
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -156.179727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.179727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.179727 (E_RNA)
where:
Base-Base interactions energy: -84.091
where: short stacking energy: -46.127
Base-Backbone interact. energy: 1.290
local terms energy: -73.379230
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -12.204
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: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -98.400855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.400855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.400855 (E_RNA)
where:
Base-Base interactions energy: -40.055
where: short stacking energy: -41.255
Base-Backbone interact. energy: -0.504
local terms energy: -57.841593
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -87.097692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.097692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.097692 (E_RNA)
where:
Base-Base interactions energy: -31.372
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.216
local terms energy: -55.509506
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: 0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -94.880558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.880558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.880558 (E_RNA)
where:
Base-Base interactions energy: -37.773
where: short stacking energy: -34.432
Base-Backbone interact. energy: -0.164
local terms energy: -56.943795
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -245.880876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.880876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.880876 (E_RNA)
where:
Base-Base interactions energy: -161.486
where: short stacking energy: -70.719
Base-Backbone interact. energy: 0.115
local terms energy: -84.510021
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -254.184929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.184929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.184929 (E_RNA)
where:
Base-Base interactions energy: -175.884
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.227
local terms energy: -78.074314
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -196.555683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.555683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.555683 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -61.229
Base-Backbone interact. energy: 0.217
local terms energy: -73.271116
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -15.431
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: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -179.439634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.439634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.439634 (E_RNA)
where:
Base-Base interactions energy: -115.002
where: short stacking energy: -57.784
Base-Backbone interact. energy: -0.052
local terms energy: -64.385025
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -180.413440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.413440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.413440 (E_RNA)
where:
Base-Base interactions energy: -122.800
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.773
local terms energy: -56.840585
where:
bonds (distance) C4'-P energy: -8.453
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -110.466886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.466886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.466886 (E_RNA)
where:
Base-Base interactions energy: -49.912
where: short stacking energy: -36.775
Base-Backbone interact. energy: -0.815
local terms energy: -59.740113
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -200.136563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.136563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.136563 (E_RNA)
where:
Base-Base interactions energy: -126.877
where: short stacking energy: -61.758
Base-Backbone interact. energy: 2.371
local terms energy: -75.630570
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -13.149
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: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -108.292338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.292338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.292338 (E_RNA)
where:
Base-Base interactions energy: -53.344
where: short stacking energy: -33.378
Base-Backbone interact. energy: -0.036
local terms energy: -54.912513
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -100.791486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.791486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.791486 (E_RNA)
where:
Base-Base interactions energy: -48.217
where: short stacking energy: -38.009
Base-Backbone interact. energy: 0.838
local terms energy: -53.412758
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -79.808762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808762 (E_RNA)
where:
Base-Base interactions energy: -27.854
where: short stacking energy: -27.288
Base-Backbone interact. energy: -0.346
local terms energy: -51.608463
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -8.895
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: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -244.818652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.818652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.818652 (E_RNA)
where:
Base-Base interactions energy: -169.108
where: short stacking energy: -66.716
Base-Backbone interact. energy: 0.867
local terms energy: -76.577522
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -257.052274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.052274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.052274 (E_RNA)
where:
Base-Base interactions energy: -182.145
where: short stacking energy: -73.517
Base-Backbone interact. energy: -0.551
local terms energy: -74.356813
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -194.387974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.387974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.387974 (E_RNA)
where:
Base-Base interactions energy: -122.613
where: short stacking energy: -61.339
Base-Backbone interact. energy: -1.545
local terms energy: -70.229336
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -9.789
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: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -189.317173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.317173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.317173 (E_RNA)
where:
Base-Base interactions energy: -114.049
where: short stacking energy: -51.737
Base-Backbone interact. energy: -0.579
local terms energy: -74.689138
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -13.960
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: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -198.135895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.135895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.135895 (E_RNA)
where:
Base-Base interactions energy: -123.899
where: short stacking energy: -65.985
Base-Backbone interact. energy: -1.409
local terms energy: -72.828448
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -194.295482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.295482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.295482 (E_RNA)
where:
Base-Base interactions energy: -128.965
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.140
local terms energy: -65.190322
where:
bonds (distance) C4'-P energy: -8.408
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -118.058044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.058044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.058044 (E_RNA)
where:
Base-Base interactions energy: -64.245
where: short stacking energy: -36.561
Base-Backbone interact. energy: 0.301
local terms energy: -54.114560
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -95.283919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.283919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.283919 (E_RNA)
where:
Base-Base interactions energy: -43.663
where: short stacking energy: -43.663
Base-Backbone interact. energy: -0.100
local terms energy: -51.521467
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -85.441151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.441151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.441151 (E_RNA)
where:
Base-Base interactions energy: -34.875
where: short stacking energy: -33.297
Base-Backbone interact. energy: -0.037
local terms energy: -50.529315
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -83.713723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.713723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.713723 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.550
local terms energy: -45.314944
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -6.327
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -253.236593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.236593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.236593 (E_RNA)
where:
Base-Base interactions energy: -172.505
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.245
local terms energy: -80.485921
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -11.775
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: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -244.693250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.693250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.693250 (E_RNA)
where:
Base-Base interactions energy: -170.366
where: short stacking energy: -65.025
Base-Backbone interact. energy: -0.222
local terms energy: -74.104953
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -189.338533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.338533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.338533 (E_RNA)
where:
Base-Base interactions energy: -114.096
where: short stacking energy: -51.737
Base-Backbone interact. energy: -0.579
local terms energy: -74.662770
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -189.367789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.367789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.367789 (E_RNA)
where:
Base-Base interactions energy: -116.816
where: short stacking energy: -58.337
Base-Backbone interact. energy: -0.564
local terms energy: -71.988206
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -12.953
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: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -197.436583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.436583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.436583 (E_RNA)
where:
Base-Base interactions energy: -131.961
where: short stacking energy: -61.389
Base-Backbone interact. energy: -0.507
local terms energy: -64.968210
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -9.494
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -178.765126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.765126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.765126 (E_RNA)
where:
Base-Base interactions energy: -106.395
where: short stacking energy: -51.169
Base-Backbone interact. energy: -0.110
local terms energy: -72.260901
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -14.696
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -110.887041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.887041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.887041 (E_RNA)
where:
Base-Base interactions energy: -55.745
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.231
local terms energy: -54.911545
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -9.869
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: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -87.701108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.701108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.701108 (E_RNA)
where:
Base-Base interactions energy: -36.587
where: short stacking energy: -28.849
Base-Backbone interact. energy: -0.204
local terms energy: -50.910801
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -87.391260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.391260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.391260 (E_RNA)
where:
Base-Base interactions energy: -29.238
where: short stacking energy: -26.728
Base-Backbone interact. energy: -0.360
local terms energy: -57.793730
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -85.397043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.397043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.397043 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -25.037
Base-Backbone interact. energy: -0.960
local terms energy: -56.794536
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -254.868191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.868191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.868191 (E_RNA)
where:
Base-Base interactions energy: -175.905
where: short stacking energy: -67.016
Base-Backbone interact. energy: -1.224
local terms energy: -77.738711
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -246.287770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.287770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.287770 (E_RNA)
where:
Base-Base interactions energy: -169.767
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.358
local terms energy: -76.162696
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -203.119895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.119895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.119895 (E_RNA)
where:
Base-Base interactions energy: -123.433
where: short stacking energy: -73.380
Base-Backbone interact. energy: -0.413
local terms energy: -79.274195
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -201.877943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.877943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.877943 (E_RNA)
where:
Base-Base interactions energy: -129.246
where: short stacking energy: -66.477
Base-Backbone interact. energy: -0.363
local terms energy: -72.269057
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -191.054951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.054951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.054951 (E_RNA)
where:
Base-Base interactions energy: -120.868
where: short stacking energy: -69.903
Base-Backbone interact. energy: -0.285
local terms energy: -69.901593
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -183.037956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.037956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.037956 (E_RNA)
where:
Base-Base interactions energy: -114.852
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.037
local terms energy: -68.149193
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -115.707006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.707006 (E_RNA)
where:
Base-Base interactions energy: -51.198
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.080
local terms energy: -64.429187
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -92.831830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.831830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.831830 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -20.495
Base-Backbone interact. energy: -0.190
local terms energy: -60.074508
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -97.881223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.881223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.881223 (E_RNA)
where:
Base-Base interactions energy: -40.602
where: short stacking energy: -39.812
Base-Backbone interact. energy: -0.010
local terms energy: -57.268872
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -8.320
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: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -83.590897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.590897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.590897 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -28.734
Base-Backbone interact. energy: 1.820
local terms energy: -51.580145
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -10.332
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: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -254.104170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.104170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.104170 (E_RNA)
where:
Base-Base interactions energy: -170.356
where: short stacking energy: -73.230
Base-Backbone interact. energy: -0.044
local terms energy: -83.703656
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -12.895
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: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -249.175039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.175039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.175039 (E_RNA)
where:
Base-Base interactions energy: -171.495
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.485
local terms energy: -77.195662
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -9.215
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: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -215.868525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.868525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.868525 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -65.902
Base-Backbone interact. energy: -0.177
local terms energy: -75.331378
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -12.184
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: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -191.605725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.605725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.605725 (E_RNA)
where:
Base-Base interactions energy: -121.376
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.059
local terms energy: -70.170471
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -210.079106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.079106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.079106 (E_RNA)
where:
Base-Base interactions energy: -135.263
where: short stacking energy: -67.652
Base-Backbone interact. energy: -0.093
local terms energy: -74.722613
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -7.635
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: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -177.698241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.698241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.698241 (E_RNA)
where:
Base-Base interactions energy: -111.219
where: short stacking energy: -53.720
Base-Backbone interact. energy: -0.013
local terms energy: -66.466371
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -93.905324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.905324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.905324 (E_RNA)
where:
Base-Base interactions energy: -40.242
where: short stacking energy: -26.831
Base-Backbone interact. energy: -0.265
local terms energy: -53.398051
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -99.787063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.787063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.787063 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -33.169
Base-Backbone interact. energy: -0.009
local terms energy: -66.609377
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -88.763248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.763248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.763248 (E_RNA)
where:
Base-Base interactions energy: -34.302
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.032
local terms energy: -54.429632
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -5.981
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: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -89.184827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.184827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.184827 (E_RNA)
where:
Base-Base interactions energy: -46.126
where: short stacking energy: -27.617
Base-Backbone interact. energy: -0.045
local terms energy: -43.014012
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -0.519
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -254.780415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.780415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.780415 (E_RNA)
where:
Base-Base interactions energy: -185.902
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.613
local terms energy: -68.265439
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -10.135
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: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -210.545653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.545653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.545653 (E_RNA)
where:
Base-Base interactions energy: -129.510
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.044
local terms energy: -80.990908
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -241.181476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.181476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.181476 (E_RNA)
where:
Base-Base interactions energy: -165.645
where: short stacking energy: -69.129
Base-Backbone interact. energy: -0.210
local terms energy: -75.325797
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -210.962226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.962226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.962226 (E_RNA)
where:
Base-Base interactions energy: -131.432
where: short stacking energy: -71.881
Base-Backbone interact. energy: -0.390
local terms energy: -79.139768
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.559
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: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -183.788747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.788747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.788747 (E_RNA)
where:
Base-Base interactions energy: -112.842
where: short stacking energy: -60.290
Base-Backbone interact. energy: 0.027
local terms energy: -70.973480
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -172.856335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.856335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.856335 (E_RNA)
where:
Base-Base interactions energy: -117.549
where: short stacking energy: -61.388
Base-Backbone interact. energy: 0.432
local terms energy: -55.739373
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -11.165
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: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -100.494156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.494156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.494156 (E_RNA)
where:
Base-Base interactions energy: -48.025
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.435
local terms energy: -52.033982
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -94.587926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.587926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.587926 (E_RNA)
where:
Base-Base interactions energy: -36.952
where: short stacking energy: -36.165
Base-Backbone interact. energy: -0.099
local terms energy: -57.536650
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -6.393
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: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -94.181519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.181519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.181519 (E_RNA)
where:
Base-Base interactions energy: -42.262
where: short stacking energy: -40.185
Base-Backbone interact. energy: 0.127
local terms energy: -52.046479
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -6.983
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -89.981862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.981862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.981862 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.310
local terms energy: -59.820663
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -254.604309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.604309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.604309 (E_RNA)
where:
Base-Base interactions energy: -175.104
where: short stacking energy: -79.804
Base-Backbone interact. energy: 0.527
local terms energy: -80.027788
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -16.308
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: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -207.117942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.117942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.117942 (E_RNA)
where:
Base-Base interactions energy: -130.883
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.197
local terms energy: -76.037977
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -240.098363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.098363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.098363 (E_RNA)
where:
Base-Base interactions energy: -165.546
where: short stacking energy: -70.468
Base-Backbone interact. energy: -0.458
local terms energy: -74.094445
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -193.069172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.069172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.069172 (E_RNA)
where:
Base-Base interactions energy: -117.120
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.151
local terms energy: -75.798515
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -170.866191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.866191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.866191 (E_RNA)
where:
Base-Base interactions energy: -100.997
where: short stacking energy: -58.571
Base-Backbone interact. energy: -0.229
local terms energy: -69.640259
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -173.639502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.639502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.639502 (E_RNA)
where:
Base-Base interactions energy: -106.562
where: short stacking energy: -53.149
Base-Backbone interact. energy: -0.068
local terms energy: -67.009539
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -10.174
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: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -100.221060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.221060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.221060 (E_RNA)
where:
Base-Base interactions energy: -43.398
where: short stacking energy: -40.024
Base-Backbone interact. energy: -0.049
local terms energy: -56.773902
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -100.876394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.876394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.876394 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.127
local terms energy: -68.684967
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -86.865139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.865139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.865139 (E_RNA)
where:
Base-Base interactions energy: -29.643
where: short stacking energy: -24.516
Base-Backbone interact. energy: -0.186
local terms energy: -57.036186
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -72.896904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.896904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.896904 (E_RNA)
where:
Base-Base interactions energy: -25.257
where: short stacking energy: -26.435
Base-Backbone interact. energy: 0.675
local terms energy: -48.314760
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -250.137902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.137902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.137902 (E_RNA)
where:
Base-Base interactions energy: -171.494
where: short stacking energy: -71.369
Base-Backbone interact. energy: -0.382
local terms energy: -78.262549
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -16.702
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: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -234.440422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.440422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.440422 (E_RNA)
where:
Base-Base interactions energy: -159.547
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.884
local terms energy: -74.009198
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -196.890504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.890504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.890504 (E_RNA)
where:
Base-Base interactions energy: -121.432
where: short stacking energy: -65.031
Base-Backbone interact. energy: -0.026
local terms energy: -75.432703
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -168.619265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.619265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.619265 (E_RNA)
where:
Base-Base interactions energy: -94.983
where: short stacking energy: -52.168
Base-Backbone interact. energy: -0.142
local terms energy: -73.494208
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -206.182940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.182940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.182940 (E_RNA)
where:
Base-Base interactions energy: -125.799
where: short stacking energy: -68.400
Base-Backbone interact. energy: -0.014
local terms energy: -80.369473
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -25.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -117.570510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.570510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.570510 (E_RNA)
where:
Base-Base interactions energy: -59.587
where: short stacking energy: -40.629
Base-Backbone interact. energy: -0.048
local terms energy: -57.935088
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -152.212882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.212882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.212882 (E_RNA)
where:
Base-Base interactions energy: -84.589
where: short stacking energy: -44.263
Base-Backbone interact. energy: -0.688
local terms energy: -66.935873
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -102.510181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.510181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.510181 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -28.344
Base-Backbone interact. energy: 1.577
local terms energy: -66.828491
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -84.409105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.409105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.409105 (E_RNA)
where:
Base-Base interactions energy: -28.378
where: short stacking energy: -26.061
Base-Backbone interact. energy: -0.054
local terms energy: -55.977512
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -80.939310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.939310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.939310 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -18.526
Base-Backbone interact. energy: -0.190
local terms energy: -46.208589
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: 3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -254.596603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.596603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.596603 (E_RNA)
where:
Base-Base interactions energy: -172.828
where: short stacking energy: -71.505
Base-Backbone interact. energy: -1.037
local terms energy: -80.731470
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -243.716855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.716855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.716855 (E_RNA)
where:
Base-Base interactions energy: -168.225
where: short stacking energy: -75.066
Base-Backbone interact. energy: -0.135
local terms energy: -75.357408
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -186.152996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.152996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.152996 (E_RNA)
where:
Base-Base interactions energy: -117.471
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.320
local terms energy: -68.361255
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -15.159
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: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -208.450797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.450797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.450797 (E_RNA)
where:
Base-Base interactions energy: -127.792
where: short stacking energy: -69.911
Base-Backbone interact. energy: -0.007
local terms energy: -80.651933
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -202.039871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.039871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.039871 (E_RNA)
where:
Base-Base interactions energy: -125.673
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.034
local terms energy: -76.332005
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -127.485463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.485463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.485463 (E_RNA)
where:
Base-Base interactions energy: -65.114
where: short stacking energy: -36.950
Base-Backbone interact. energy: -0.678
local terms energy: -61.693714
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -125.621448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.621448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.621448 (E_RNA)
where:
Base-Base interactions energy: -78.133
where: short stacking energy: -28.951
Base-Backbone interact. energy: -0.203
local terms energy: -47.285138
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: 0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -92.216772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.216772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.216772 (E_RNA)
where:
Base-Base interactions energy: -31.283
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.689
local terms energy: -60.244893
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -88.334692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.334692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.334692 (E_RNA)
where:
Base-Base interactions energy: -40.599
where: short stacking energy: -20.830
Base-Backbone interact. energy: -0.532
local terms energy: -47.203718
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -4.252
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: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -86.445327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445327 (E_RNA)
where:
Base-Base interactions energy: -28.975
where: short stacking energy: -28.657
Base-Backbone interact. energy: 4.913
local terms energy: -62.383761
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -6.148
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: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -255.213035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.213035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.213035 (E_RNA)
where:
Base-Base interactions energy: -170.589
where: short stacking energy: -76.858
Base-Backbone interact. energy: -1.140
local terms energy: -83.484185
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -17.855
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -197.404842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.404842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.404842 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.069
local terms energy: -74.567901
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -238.637508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.637508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.637508 (E_RNA)
where:
Base-Base interactions energy: -161.979
where: short stacking energy: -61.736
Base-Backbone interact. energy: -0.393
local terms energy: -76.265153
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -13.118
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: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -210.534655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.534655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.534655 (E_RNA)
where:
Base-Base interactions energy: -131.677
where: short stacking energy: -72.580
Base-Backbone interact. energy: -0.561
local terms energy: -78.295722
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -24.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -192.538204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.538204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.538204 (E_RNA)
where:
Base-Base interactions energy: -115.794
where: short stacking energy: -62.694
Base-Backbone interact. energy: 0.302
local terms energy: -77.046460
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -11.016
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: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -145.215975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.215975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.215975 (E_RNA)
where:
Base-Base interactions energy: -84.335
where: short stacking energy: -46.734
Base-Backbone interact. energy: -0.278
local terms energy: -60.602941
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -100.489375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.489375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.489375 (E_RNA)
where:
Base-Base interactions energy: -43.535
where: short stacking energy: -36.793
Base-Backbone interact. energy: 0.184
local terms energy: -57.138260
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -8.737
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -6.140
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: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -84.929492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.929492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.929492 (E_RNA)
where:
Base-Base interactions energy: -31.940
where: short stacking energy: -31.259
Base-Backbone interact. energy: 0.140
local terms energy: -53.129445
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -2.519
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: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -82.013547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.013547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.013547 (E_RNA)
where:
Base-Base interactions energy: -32.774
where: short stacking energy: -21.981
Base-Backbone interact. energy: 3.056
local terms energy: -52.294950
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -77.647966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.647966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.647966 (E_RNA)
where:
Base-Base interactions energy: -26.559
where: short stacking energy: -24.121
Base-Backbone interact. energy: -0.143
local terms energy: -50.945832
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -250.583752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.583752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.583752 (E_RNA)
where:
Base-Base interactions energy: -175.407
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.132
local terms energy: -75.044135
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -10.488
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: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -202.308707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.308707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.308707 (E_RNA)
where:
Base-Base interactions energy: -118.630
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.368
local terms energy: -83.310188
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -16.184
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: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -240.826564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.826564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.826564 (E_RNA)
where:
Base-Base interactions energy: -157.857
where: short stacking energy: -66.333
Base-Backbone interact. energy: -1.464
local terms energy: -81.505366
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -198.889515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.889515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.889515 (E_RNA)
where:
Base-Base interactions energy: -122.317
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.085
local terms energy: -76.486615
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -204.517267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.517267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.517267 (E_RNA)
where:
Base-Base interactions energy: -129.220
where: short stacking energy: -55.145
Base-Backbone interact. energy: -1.014
local terms energy: -74.283592
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -9.141
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: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -145.823698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.823698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.823698 (E_RNA)
where:
Base-Base interactions energy: -88.130
where: short stacking energy: -45.965
Base-Backbone interact. energy: -0.223
local terms energy: -57.470158
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -3.010
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -98.340517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.340517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.340517 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -26.621
Base-Backbone interact. energy: -0.182
local terms energy: -52.804689
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: 3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -83.261184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.261184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.261184 (E_RNA)
where:
Base-Base interactions energy: -37.774
where: short stacking energy: -34.511
Base-Backbone interact. energy: 0.813
local terms energy: -46.299401
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -85.544819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.544819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.544819 (E_RNA)
where:
Base-Base interactions energy: -34.561
where: short stacking energy: -28.990
Base-Backbone interact. energy: -0.077
local terms energy: -50.906719
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: 1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -81.375119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.375119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.375119 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -21.119
Base-Backbone interact. energy: -0.807
local terms energy: -51.291538
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: 1.333
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: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -251.082999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.082999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.082999 (E_RNA)
where:
Base-Base interactions energy: -170.960
where: short stacking energy: -76.715
Base-Backbone interact. energy: -0.259
local terms energy: -79.863503
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -12.176
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: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -241.826810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.826810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.826810 (E_RNA)
where:
Base-Base interactions energy: -163.556
where: short stacking energy: -73.820
Base-Backbone interact. energy: -0.211
local terms energy: -78.059496
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -11.783
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: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -185.389802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.389802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.389802 (E_RNA)
where:
Base-Base interactions energy: -109.761
where: short stacking energy: -63.517
Base-Backbone interact. energy: -1.279
local terms energy: -74.349484
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -11.860
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: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -208.918690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.918690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.918690 (E_RNA)
where:
Base-Base interactions energy: -137.930
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.640
local terms energy: -70.349224
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -10.231
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: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -169.047964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.047964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.047964 (E_RNA)
where:
Base-Base interactions energy: -105.307
where: short stacking energy: -51.808
Base-Backbone interact. energy: 0.904
local terms energy: -64.645112
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -174.459003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.459003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.459003 (E_RNA)
where:
Base-Base interactions energy: -111.671
where: short stacking energy: -52.451
Base-Backbone interact. energy: -0.690
local terms energy: -62.098589
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -96.052309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.052309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.052309 (E_RNA)
where:
Base-Base interactions energy: -30.695
where: short stacking energy: -30.695
Base-Backbone interact. energy: -0.598
local terms energy: -64.758676
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -104.013385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.013385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.013385 (E_RNA)
where:
Base-Base interactions energy: -50.512
where: short stacking energy: -41.668
Base-Backbone interact. energy: -0.218
local terms energy: -53.282884
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -94.348491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.348491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.348491 (E_RNA)
where:
Base-Base interactions energy: -43.234
where: short stacking energy: -26.165
Base-Backbone interact. energy: 1.216
local terms energy: -52.331053
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -79.903062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.903062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.903062 (E_RNA)
where:
Base-Base interactions energy: -24.897
where: short stacking energy: -23.472
Base-Backbone interact. energy: 1.240
local terms energy: -56.245568
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -247.094884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.094884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.094884 (E_RNA)
where:
Base-Base interactions energy: -172.930
where: short stacking energy: -70.377
Base-Backbone interact. energy: 0.231
local terms energy: -74.395494
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -15.873
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: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -254.737767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.737767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.737767 (E_RNA)
where:
Base-Base interactions energy: -178.589
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.135
local terms energy: -76.013996
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -223.890784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.890784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.890784 (E_RNA)
where:
Base-Base interactions energy: -143.374
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.296
local terms energy: -80.221090
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -173.929053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.929053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.929053 (E_RNA)
where:
Base-Base interactions energy: -104.686
where: short stacking energy: -53.230
Base-Backbone interact. energy: -2.245
local terms energy: -66.998206
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -198.380027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.380027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.380027 (E_RNA)
where:
Base-Base interactions energy: -127.841
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.021
local terms energy: -70.517713
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -8.266
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -11.201
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: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -154.836250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.836250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.836250 (E_RNA)
where:
Base-Base interactions energy: -87.020
where: short stacking energy: -45.995
Base-Backbone interact. energy: -1.452
local terms energy: -66.363838
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -9.786
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: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -106.118643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.118643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.118643 (E_RNA)
where:
Base-Base interactions energy: -46.001
where: short stacking energy: -28.658
Base-Backbone interact. energy: -0.023
local terms energy: -60.094513
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -98.508147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.508147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.508147 (E_RNA)
where:
Base-Base interactions energy: -42.553
where: short stacking energy: -39.364
Base-Backbone interact. energy: -0.316
local terms energy: -55.639623
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -5.648
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -85.426015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.426015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.426015 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.084
local terms energy: -52.483394
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -8.326
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -80.090019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.090019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.090019 (E_RNA)
where:
Base-Base interactions energy: -25.978
where: short stacking energy: -25.978
Base-Backbone interact. energy: 0.999
local terms energy: -55.110969
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.263
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: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -242.646422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.646422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.646422 (E_RNA)
where:
Base-Base interactions energy: -169.706
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.297
local terms energy: -72.642843
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -250.169236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.169236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.169236 (E_RNA)
where:
Base-Base interactions energy: -173.136
where: short stacking energy: -66.541
Base-Backbone interact. energy: -0.200
local terms energy: -76.833709
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -11.520
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: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -203.298922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.298922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.298922 (E_RNA)
where:
Base-Base interactions energy: -125.021
where: short stacking energy: -64.338
Base-Backbone interact. energy: -0.237
local terms energy: -78.040408
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -12.486
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: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -196.564111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.564111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.564111 (E_RNA)
where:
Base-Base interactions energy: -122.497
where: short stacking energy: -62.955
Base-Backbone interact. energy: -0.074
local terms energy: -73.993460
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -153.668086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.668086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.668086 (E_RNA)
where:
Base-Base interactions energy: -81.382
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.534
local terms energy: -71.751604
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -8.699
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: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -194.602890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.602890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.602890 (E_RNA)
where:
Base-Base interactions energy: -124.074
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.100
local terms energy: -70.428694
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -10.314
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: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -89.721944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721944 (E_RNA)
where:
Base-Base interactions energy: -32.391
where: short stacking energy: -28.270
Base-Backbone interact. energy: -0.374
local terms energy: -56.957327
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: 2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -88.820217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.820217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.820217 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -34.162
Base-Backbone interact. energy: -0.918
local terms energy: -53.740034
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -106.641997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.641997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.641997 (E_RNA)
where:
Base-Base interactions energy: -51.226
where: short stacking energy: -51.226
Base-Backbone interact. energy: -0.003
local terms energy: -55.413062
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -83.503048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.503048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.503048 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -35.011
Base-Backbone interact. energy: 2.214
local terms energy: -47.825496
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -10.068
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: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -251.709346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.709346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.709346 (E_RNA)
where:
Base-Base interactions energy: -174.325
where: short stacking energy: -74.792
Base-Backbone interact. energy: -0.353
local terms energy: -77.030942
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -19.258
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: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -248.560591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.560591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.560591 (E_RNA)
where:
Base-Base interactions energy: -176.557
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.435
local terms energy: -71.568611
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -214.610481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.610481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.610481 (E_RNA)
where:
Base-Base interactions energy: -134.060
where: short stacking energy: -77.317
Base-Backbone interact. energy: -1.253
local terms energy: -79.297363
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -203.317552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.317552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.317552 (E_RNA)
where:
Base-Base interactions energy: -126.439
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.094
local terms energy: -76.784246
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -17.409
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: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -170.569764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.569764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.569764 (E_RNA)
where:
Base-Base interactions energy: -103.791
where: short stacking energy: -51.138
Base-Backbone interact. energy: -0.039
local terms energy: -66.739686
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -177.341806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.341806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.341806 (E_RNA)
where:
Base-Base interactions energy: -102.165
where: short stacking energy: -66.255
Base-Backbone interact. energy: -0.002
local terms energy: -75.175446
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -92.489081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.489081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.489081 (E_RNA)
where:
Base-Base interactions energy: -42.913
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.217
local terms energy: -49.358386
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -9.019
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: 8, replica: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -89.762908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.762908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.762908 (E_RNA)
where:
Base-Base interactions energy: -34.107
where: short stacking energy: -29.878
Base-Backbone interact. energy: -0.313
local terms energy: -55.342881
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -5.032
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: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -83.973489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.973489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.973489 (E_RNA)
where:
Base-Base interactions energy: -38.423
where: short stacking energy: -37.594
Base-Backbone interact. energy: 0.035
local terms energy: -45.585555
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -9.001
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -7.055
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: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -78.180635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.180635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.180635 (E_RNA)
where:
Base-Base interactions energy: -28.543
where: short stacking energy: -28.543
Base-Backbone interact. energy: -0.196
local terms energy: -49.441317
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -245.575223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.575223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.575223 (E_RNA)
where:
Base-Base interactions energy: -163.918
where: short stacking energy: -77.499
Base-Backbone interact. energy: -0.039
local terms energy: -81.618088
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -246.414623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.414623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.414623 (E_RNA)
where:
Base-Base interactions energy: -163.822
where: short stacking energy: -61.427
Base-Backbone interact. energy: -0.268
local terms energy: -82.324777
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -12.045
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: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -217.489331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.489331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.489331 (E_RNA)
where:
Base-Base interactions energy: -136.610
where: short stacking energy: -75.929
Base-Backbone interact. energy: -0.005
local terms energy: -80.874287
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -9.848
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: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -201.201291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.201291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.201291 (E_RNA)
where:
Base-Base interactions energy: -128.035
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.052
local terms energy: -73.115196
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -203.150857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.150857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.150857 (E_RNA)
where:
Base-Base interactions energy: -135.494
where: short stacking energy: -73.863
Base-Backbone interact. energy: -0.062
local terms energy: -67.594895
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -20.988
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: 225
Temperature: 1.150000
Total energy: -160.969930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.969930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.969930 (E_RNA)
where:
Base-Base interactions energy: -93.120
where: short stacking energy: -51.381
Base-Backbone interact. energy: -0.166
local terms energy: -67.683395
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -101.492065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.492065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.492065 (E_RNA)
where:
Base-Base interactions energy: -39.889
where: short stacking energy: -37.220
Base-Backbone interact. energy: -0.100
local terms energy: -61.502698
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -100.489729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.489729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.489729 (E_RNA)
where:
Base-Base interactions energy: -44.432
where: short stacking energy: -34.375
Base-Backbone interact. energy: -0.076
local terms energy: -55.981630
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -96.562251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.562251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.562251 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.261
local terms energy: -61.017037
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -77.971193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.971193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.971193 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -27.431
Base-Backbone interact. energy: -0.368
local terms energy: -47.772145
where:
bonds (distance) C4'-P energy: -5.931
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -244.693119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.693119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.693119 (E_RNA)
where:
Base-Base interactions energy: -162.922
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.925
local terms energy: -80.845844
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -241.079606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.079606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.079606 (E_RNA)
where:
Base-Base interactions energy: -161.290
where: short stacking energy: -80.064
Base-Backbone interact. energy: -0.390
local terms energy: -79.399839
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -209.655028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.655028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.655028 (E_RNA)
where:
Base-Base interactions energy: -129.443
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.137
local terms energy: -80.074717
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -210.154376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.154376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.154376 (E_RNA)
where:
Base-Base interactions energy: -125.482
where: short stacking energy: -73.948
Base-Backbone interact. energy: -0.130
local terms energy: -84.541797
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -22.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -197.250367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.250367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.250367 (E_RNA)
where:
Base-Base interactions energy: -118.906
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.034
local terms energy: -78.311025
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -180.419153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.419153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.419153 (E_RNA)
where:
Base-Base interactions energy: -124.829
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.866
local terms energy: -54.724776
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -96.842464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.842464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.842464 (E_RNA)
where:
Base-Base interactions energy: -35.509
where: short stacking energy: -33.884
Base-Backbone interact. energy: 0.149
local terms energy: -61.482407
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -88.617227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.617227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.617227 (E_RNA)
where:
Base-Base interactions energy: -28.236
where: short stacking energy: -18.668
Base-Backbone interact. energy: -0.011
local terms energy: -60.370615
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: 0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -107.980572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.980572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.980572 (E_RNA)
where:
Base-Base interactions energy: -46.457
where: short stacking energy: -44.124
Base-Backbone interact. energy: -0.400
local terms energy: -61.123531
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -6.471
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: 10, replica: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -88.122962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.122962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.122962 (E_RNA)
where:
Base-Base interactions energy: -39.850
where: short stacking energy: -30.150
Base-Backbone interact. energy: 3.011
local terms energy: -51.284054
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -246.653037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.653037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.653037 (E_RNA)
where:
Base-Base interactions energy: -168.141
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.447
local terms energy: -78.065383
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -14.332
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: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -247.256458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.256458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.256458 (E_RNA)
where:
Base-Base interactions energy: -165.388
where: short stacking energy: -77.051
Base-Backbone interact. energy: -0.885
local terms energy: -80.983845
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -215.934821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.934821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.934821 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -72.465
Base-Backbone interact. energy: -0.042
local terms energy: -79.117080
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -208.151903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.151903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.151903 (E_RNA)
where:
Base-Base interactions energy: -142.395
where: short stacking energy: -75.306
Base-Backbone interact. energy: -0.120
local terms energy: -65.637145
where:
bonds (distance) C4'-P energy: -8.739
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -3.169
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -168.550858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.550858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.550858 (E_RNA)
where:
Base-Base interactions energy: -88.663
where: short stacking energy: -49.991
Base-Backbone interact. energy: -0.484
local terms energy: -79.403463
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -12.738
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: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -201.200976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.200976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.200976 (E_RNA)
where:
Base-Base interactions energy: -140.295
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.209
local terms energy: -60.696613
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -102.966601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.966601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.966601 (E_RNA)
where:
Base-Base interactions energy: -46.866
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.720
local terms energy: -55.380595
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -12.246
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: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -98.451324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.451324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.451324 (E_RNA)
where:
Base-Base interactions energy: -44.990
where: short stacking energy: -44.990
Base-Backbone interact. energy: -0.019
local terms energy: -53.441769
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -90.516686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.516686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.516686 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -32.859
Base-Backbone interact. energy: -0.089
local terms energy: -53.302515
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -86.136537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.136537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.136537 (E_RNA)
where:
Base-Base interactions energy: -41.824
where: short stacking energy: -29.261
Base-Backbone interact. energy: -0.608
local terms energy: -43.703646
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: 3.193
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: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -240.653324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.653324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.653324 (E_RNA)
where:
Base-Base interactions energy: -158.927
where: short stacking energy: -70.306
Base-Backbone interact. energy: -0.648
local terms energy: -81.078442
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -240.604480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.604480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.604480 (E_RNA)
where:
Base-Base interactions energy: -163.639
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.175
local terms energy: -76.790453
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -212.983517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.983517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.983517 (E_RNA)
where:
Base-Base interactions energy: -127.309
where: short stacking energy: -76.017
Base-Backbone interact. energy: -0.055
local terms energy: -85.619755
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -23.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -211.888165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.888165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.888165 (E_RNA)
where:
Base-Base interactions energy: -137.898
where: short stacking energy: -71.264
Base-Backbone interact. energy: -0.257
local terms energy: -73.733443
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -7.666
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: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -193.083216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.083216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.083216 (E_RNA)
where:
Base-Base interactions energy: -124.178
where: short stacking energy: -50.490
Base-Backbone interact. energy: -0.178
local terms energy: -68.726998
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -7.590
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: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -165.265467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.265467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.265467 (E_RNA)
where:
Base-Base interactions energy: -101.805
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.014
local terms energy: -63.446782
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -97.955761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.955761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.955761 (E_RNA)
where:
Base-Base interactions energy: -43.775
where: short stacking energy: -24.704
Base-Backbone interact. energy: -0.203
local terms energy: -53.977736
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -0.716
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: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -104.765658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.765658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.765658 (E_RNA)
where:
Base-Base interactions energy: -47.244
where: short stacking energy: -29.382
Base-Backbone interact. energy: -0.059
local terms energy: -57.463038
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -86.396754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.396754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.396754 (E_RNA)
where:
Base-Base interactions energy: -28.693
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.043
local terms energy: -57.660343
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -97.634122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.634122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.634122 (E_RNA)
where:
Base-Base interactions energy: -39.852
where: short stacking energy: -30.972
Base-Backbone interact. energy: 0.133
local terms energy: -57.915156
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -251.710661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.710661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.710661 (E_RNA)
where:
Base-Base interactions energy: -177.624
where: short stacking energy: -68.820
Base-Backbone interact. energy: -0.157
local terms energy: -73.929774
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -16.649
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: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -253.329822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.329822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.329822 (E_RNA)
where:
Base-Base interactions energy: -175.198
where: short stacking energy: -67.104
Base-Backbone interact. energy: 1.226
local terms energy: -79.358093
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.961
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: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -200.249586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.249586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.249586 (E_RNA)
where:
Base-Base interactions energy: -122.857
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.100
local terms energy: -77.292829
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -206.945556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.945556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.945556 (E_RNA)
where:
Base-Base interactions energy: -148.760
where: short stacking energy: -54.518
Base-Backbone interact. energy: -0.586
local terms energy: -57.600182
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -194.926315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.926315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.926315 (E_RNA)
where:
Base-Base interactions energy: -132.775
where: short stacking energy: -59.338
Base-Backbone interact. energy: -0.111
local terms energy: -62.039879
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -173.151514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.151514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.151514 (E_RNA)
where:
Base-Base interactions energy: -114.001
where: short stacking energy: -62.967
Base-Backbone interact. energy: -0.651
local terms energy: -58.499146
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -4.083
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: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -106.629560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.629560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.629560 (E_RNA)
where:
Base-Base interactions energy: -51.996
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.465
local terms energy: -54.168569
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -2.601
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: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -100.223827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.223827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.223827 (E_RNA)
where:
Base-Base interactions energy: -39.381
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.044
local terms energy: -60.798222
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -81.762273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.762273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.762273 (E_RNA)
where:
Base-Base interactions energy: -30.520
where: short stacking energy: -28.412
Base-Backbone interact. energy: -0.221
local terms energy: -51.020825
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -85.337798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.337798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.337798 (E_RNA)
where:
Base-Base interactions energy: -36.209
where: short stacking energy: -36.143
Base-Backbone interact. energy: 0.109
local terms energy: -49.237900
where:
bonds (distance) C4'-P energy: -7.359
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -249.835916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.835916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.835916 (E_RNA)
where:
Base-Base interactions energy: -178.028
where: short stacking energy: -69.511
Base-Backbone interact. energy: -1.421
local terms energy: -70.387386
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -14.925
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: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -246.739791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.739791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.739791 (E_RNA)
where:
Base-Base interactions energy: -172.374
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.784
local terms energy: -73.581597
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -214.432359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.432359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.432359 (E_RNA)
where:
Base-Base interactions energy: -154.705
where: short stacking energy: -54.604
Base-Backbone interact. energy: -0.482
local terms energy: -59.245441
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -213.984841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.984841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.984841 (E_RNA)
where:
Base-Base interactions energy: -139.065
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.107
local terms energy: -74.812827
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -183.123186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.123186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.123186 (E_RNA)
where:
Base-Base interactions energy: -104.307
where: short stacking energy: -51.097
Base-Backbone interact. energy: -1.067
local terms energy: -77.749225
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -171.688898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.688898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.688898 (E_RNA)
where:
Base-Base interactions energy: -98.068
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.190
local terms energy: -73.430597
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -109.272288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.272288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.272288 (E_RNA)
where:
Base-Base interactions energy: -49.087
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.064
local terms energy: -60.120751
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -95.466361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.466361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.466361 (E_RNA)
where:
Base-Base interactions energy: -39.139
where: short stacking energy: -35.246
Base-Backbone interact. energy: -0.692
local terms energy: -55.635333
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -92.566400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.566400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.566400 (E_RNA)
where:
Base-Base interactions energy: -38.030
where: short stacking energy: -37.362
Base-Backbone interact. energy: 0.476
local terms energy: -55.012481
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -6.961
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -81.340108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.340108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.340108 (E_RNA)
where:
Base-Base interactions energy: -22.344
where: short stacking energy: -17.167
Base-Backbone interact. energy: -0.041
local terms energy: -58.954511
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -238.903128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.903128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.903128 (E_RNA)
where:
Base-Base interactions energy: -163.139
where: short stacking energy: -74.872
Base-Backbone interact. energy: -0.221
local terms energy: -75.543699
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -242.764872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.764872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.764872 (E_RNA)
where:
Base-Base interactions energy: -174.872
where: short stacking energy: -64.726
Base-Backbone interact. energy: -0.559
local terms energy: -67.333314
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -208.678052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.678052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.678052 (E_RNA)
where:
Base-Base interactions energy: -136.703
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.150
local terms energy: -71.825631
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -187.719581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.719581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.719581 (E_RNA)
where:
Base-Base interactions energy: -120.974
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.724
local terms energy: -66.021478
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -15.166
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: 231
Temperature: 1.100000
Total energy: -177.658956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.658956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.658956 (E_RNA)
where:
Base-Base interactions energy: -111.877
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.434
local terms energy: -65.347088
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -180.191464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.191464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.191464 (E_RNA)
where:
Base-Base interactions energy: -111.918
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.042
local terms energy: -68.231722
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -15.319
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: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -102.105835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.105835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.105835 (E_RNA)
where:
Base-Base interactions energy: -36.437
where: short stacking energy: -36.437
Base-Backbone interact. energy: -0.048
local terms energy: -65.620959
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -5.175
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: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -104.033705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.033705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.033705 (E_RNA)
where:
Base-Base interactions energy: -46.905
where: short stacking energy: -41.021
Base-Backbone interact. energy: -0.026
local terms energy: -57.103319
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -84.857613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.857613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.857613 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -18.046
Base-Backbone interact. energy: -0.489
local terms energy: -49.631552
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -72.991221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.991221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.991221 (E_RNA)
where:
Base-Base interactions energy: -25.654
where: short stacking energy: -15.072
Base-Backbone interact. energy: -0.794
local terms energy: -46.542725
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: 0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -249.256534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.256534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.256534 (E_RNA)
where:
Base-Base interactions energy: -173.632
where: short stacking energy: -74.581
Base-Backbone interact. energy: 0.995
local terms energy: -76.618895
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.901
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: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -234.861929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.861929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.861929 (E_RNA)
where:
Base-Base interactions energy: -155.164
where: short stacking energy: -75.182
Base-Backbone interact. energy: -0.597
local terms energy: -79.100882
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -202.941033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.941033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.941033 (E_RNA)
where:
Base-Base interactions energy: -122.283
where: short stacking energy: -67.548
Base-Backbone interact. energy: -0.699
local terms energy: -79.959387
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -22.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -222.788602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.788602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.788602 (E_RNA)
where:
Base-Base interactions energy: -156.299
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.299
local terms energy: -66.189785
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -7.510
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: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -157.772722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.772722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.772722 (E_RNA)
where:
Base-Base interactions energy: -91.473
where: short stacking energy: -46.314
Base-Backbone interact. energy: -0.050
local terms energy: -66.250405
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -182.018352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.018352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.018352 (E_RNA)
where:
Base-Base interactions energy: -103.747
where: short stacking energy: -51.150
Base-Backbone interact. energy: -0.853
local terms energy: -77.418510
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -11.050
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: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -94.908391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.908391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.908391 (E_RNA)
where:
Base-Base interactions energy: -40.096
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.155
local terms energy: -54.657146
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -7.134
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -99.364632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.364632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.364632 (E_RNA)
where:
Base-Base interactions energy: -42.944
where: short stacking energy: -33.679
Base-Backbone interact. energy: -0.119
local terms energy: -56.301634
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -4.497
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: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -88.904662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.904662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.904662 (E_RNA)
where:
Base-Base interactions energy: -37.674
where: short stacking energy: -37.674
Base-Backbone interact. energy: -0.695
local terms energy: -50.536397
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -80.802761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.802761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.802761 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -28.346
Base-Backbone interact. energy: -1.369
local terms energy: -46.710804
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -256.830308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.830308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.830308 (E_RNA)
where:
Base-Base interactions energy: -178.987
where: short stacking energy: -70.744
Base-Backbone interact. energy: 0.120
local terms energy: -77.963062
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -211.918092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.918092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.918092 (E_RNA)
where:
Base-Base interactions energy: -137.160
where: short stacking energy: -73.990
Base-Backbone interact. energy: -0.074
local terms energy: -74.684642
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -240.924052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.924052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.924052 (E_RNA)
where:
Base-Base interactions energy: -157.880
where: short stacking energy: -72.443
Base-Backbone interact. energy: 0.827
local terms energy: -83.871474
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -228.731482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.731482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.731482 (E_RNA)
where:
Base-Base interactions energy: -158.096
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.630
local terms energy: -70.005478
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -180.264770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.264770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.264770 (E_RNA)
where:
Base-Base interactions energy: -108.059
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.004
local terms energy: -72.201899
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -13.373
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: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -191.700286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.700286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.700286 (E_RNA)
where:
Base-Base interactions energy: -120.747
where: short stacking energy: -60.764
Base-Backbone interact. energy: -1.193
local terms energy: -69.760615
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -107.699590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.699590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.699590 (E_RNA)
where:
Base-Base interactions energy: -46.312
where: short stacking energy: -43.539
Base-Backbone interact. energy: -1.229
local terms energy: -60.158253
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.775
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: 8, replica: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -98.342522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.342522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.342522 (E_RNA)
where:
Base-Base interactions energy: -41.326
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.042
local terms energy: -56.974536
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -88.827204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.827204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.827204 (E_RNA)
where:
Base-Base interactions energy: -40.615
where: short stacking energy: -23.920
Base-Backbone interact. energy: -0.108
local terms energy: -48.104558
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -90.982184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.982184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.982184 (E_RNA)
where:
Base-Base interactions energy: -38.004
where: short stacking energy: -26.581
Base-Backbone interact. energy: -0.836
local terms energy: -52.141805
where:
bonds (distance) C4'-P energy: -5.513
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.161
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: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -252.786336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.786336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.786336 (E_RNA)
where:
Base-Base interactions energy: -175.414
where: short stacking energy: -72.091
Base-Backbone interact. energy: -1.963
local terms energy: -75.408794
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -216.207095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.207095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.207095 (E_RNA)
where:
Base-Base interactions energy: -139.267
where: short stacking energy: -71.597
Base-Backbone interact. energy: -0.503
local terms energy: -76.436827
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -217.532665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.532665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.532665 (E_RNA)
where:
Base-Base interactions energy: -142.011
where: short stacking energy: -45.768
Base-Backbone interact. energy: -0.902
local terms energy: -74.620000
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -236.367575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.367575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.367575 (E_RNA)
where:
Base-Base interactions energy: -167.712
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.139
local terms energy: -68.516179
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -11.276
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: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -212.691312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.691312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.691312 (E_RNA)
where:
Base-Base interactions energy: -132.117
where: short stacking energy: -67.142
Base-Backbone interact. energy: -1.346
local terms energy: -79.227671
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -12.493
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: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -164.394149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.394149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.394149 (E_RNA)
where:
Base-Base interactions energy: -107.880
where: short stacking energy: -37.173
Base-Backbone interact. energy: -0.899
local terms energy: -55.615248
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -107.933350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.933350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.933350 (E_RNA)
where:
Base-Base interactions energy: -40.508
where: short stacking energy: -29.109
Base-Backbone interact. energy: -0.136
local terms energy: -67.288849
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -9.812
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: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -99.259149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.259149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.259149 (E_RNA)
where:
Base-Base interactions energy: -32.346
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.073
local terms energy: -66.839606
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -82.805821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805821 (E_RNA)
where:
Base-Base interactions energy: -32.695
where: short stacking energy: -21.575
Base-Backbone interact. energy: -0.047
local terms energy: -50.064120
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -87.782078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.782078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.782078 (E_RNA)
where:
Base-Base interactions energy: -40.696
where: short stacking energy: -35.492
Base-Backbone interact. energy: 0.478
local terms energy: -47.563987
where:
bonds (distance) C4'-P energy: -4.997
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -262.650881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.650881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.650881 (E_RNA)
where:
Base-Base interactions energy: -185.044
where: short stacking energy: -81.665
Base-Backbone interact. energy: -0.132
local terms energy: -77.474612
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -18.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -232.402802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.402802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.402802 (E_RNA)
where:
Base-Base interactions energy: -166.022
where: short stacking energy: -62.672
Base-Backbone interact. energy: -1.218
local terms energy: -65.161891
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -212.136587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.136587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.136587 (E_RNA)
where:
Base-Base interactions energy: -138.164
where: short stacking energy: -76.649
Base-Backbone interact. energy: -0.501
local terms energy: -73.471454
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -6.558
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -22.742
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: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -239.106373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.106373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.106373 (E_RNA)
where:
Base-Base interactions energy: -166.074
where: short stacking energy: -73.856
Base-Backbone interact. energy: -0.090
local terms energy: -72.942185
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -191.027962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.027962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.027962 (E_RNA)
where:
Base-Base interactions energy: -126.737
where: short stacking energy: -55.225
Base-Backbone interact. energy: -0.219
local terms energy: -64.071667
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -105.408509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.408509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.408509 (E_RNA)
where:
Base-Base interactions energy: -50.171
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.074
local terms energy: -55.163471
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -146.273558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.273558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.273558 (E_RNA)
where:
Base-Base interactions energy: -87.087
where: short stacking energy: -51.536
Base-Backbone interact. energy: -0.422
local terms energy: -58.764264
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -10.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -98.937046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.937046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.937046 (E_RNA)
where:
Base-Base interactions energy: -48.001
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.065
local terms energy: -50.871143
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -5.086
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: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -93.342498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.342498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.342498 (E_RNA)
where:
Base-Base interactions energy: -42.675
where: short stacking energy: -16.933
Base-Backbone interact. energy: -0.803
local terms energy: -49.864595
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -8.958
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -9.832
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: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -77.888454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.888454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.888454 (E_RNA)
where:
Base-Base interactions energy: -26.885
where: short stacking energy: -19.041
Base-Backbone interact. energy: 0.143
local terms energy: -51.147255
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -12.530
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: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -243.562134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.562134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.562134 (E_RNA)
where:
Base-Base interactions energy: -163.354
where: short stacking energy: -68.373
Base-Backbone interact. energy: -0.349
local terms energy: -79.859331
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -253.204626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.204626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.204626 (E_RNA)
where:
Base-Base interactions energy: -176.911
where: short stacking energy: -71.381
Base-Backbone interact. energy: 0.903
local terms energy: -77.197355
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -243.430662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.430662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.430662 (E_RNA)
where:
Base-Base interactions energy: -169.680
where: short stacking energy: -70.830
Base-Backbone interact. energy: -0.106
local terms energy: -73.644428
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -187.994482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.994482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.994482 (E_RNA)
where:
Base-Base interactions energy: -120.943
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.047
local terms energy: -67.003947
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -189.488394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.488394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.488394 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.044
local terms energy: -69.710752
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -11.450
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: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -114.649501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.649501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.649501 (E_RNA)
where:
Base-Base interactions energy: -39.260
where: short stacking energy: -37.722
Base-Backbone interact. energy: -0.956
local terms energy: -74.433410
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -128.152583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.152583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.152583 (E_RNA)
where:
Base-Base interactions energy: -71.177
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.823
local terms energy: -56.153068
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -93.117617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.117617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.117617 (E_RNA)
where:
Base-Base interactions energy: -32.299
where: short stacking energy: -31.626
Base-Backbone interact. energy: 1.406
local terms energy: -62.224516
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -88.777110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.777110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.777110 (E_RNA)
where:
Base-Base interactions energy: -43.244
where: short stacking energy: -20.322
Base-Backbone interact. energy: -1.137
local terms energy: -44.395805
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: 4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -88.978902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.978902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.978902 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -26.027
Base-Backbone interact. energy: -0.373
local terms energy: -46.012976
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -7.021
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: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -227.564496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.564496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.564496 (E_RNA)
where:
Base-Base interactions energy: -161.366
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.761
local terms energy: -65.436698
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -252.278391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.278391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.278391 (E_RNA)
where:
Base-Base interactions energy: -179.852
where: short stacking energy: -61.859
Base-Backbone interact. energy: -0.316
local terms energy: -72.110522
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -245.078674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.078674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.078674 (E_RNA)
where:
Base-Base interactions energy: -174.057
where: short stacking energy: -76.374
Base-Backbone interact. energy: -0.297
local terms energy: -70.723820
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -217.342757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.342757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.342757 (E_RNA)
where:
Base-Base interactions energy: -135.199
where: short stacking energy: -74.845
Base-Backbone interact. energy: -0.018
local terms energy: -82.125689
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -189.683647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.683647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.683647 (E_RNA)
where:
Base-Base interactions energy: -113.102
where: short stacking energy: -55.562
Base-Backbone interact. energy: -0.084
local terms energy: -76.498153
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -11.378
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: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -147.006557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.006557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.006557 (E_RNA)
where:
Base-Base interactions energy: -86.183
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.846
local terms energy: -59.977532
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -9.306
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: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -114.283468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.283468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.283468 (E_RNA)
where:
Base-Base interactions energy: -61.008
where: short stacking energy: -47.093
Base-Backbone interact. energy: -0.159
local terms energy: -53.116613
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -88.664124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.664124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.664124 (E_RNA)
where:
Base-Base interactions energy: -33.003
where: short stacking energy: -31.841
Base-Backbone interact. energy: -0.048
local terms energy: -55.613773
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -84.748468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.748468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.748468 (E_RNA)
where:
Base-Base interactions energy: -33.844
where: short stacking energy: -32.691
Base-Backbone interact. energy: 0.106
local terms energy: -51.011012
where:
bonds (distance) C4'-P energy: -5.356
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -81.845589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.845589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.845589 (E_RNA)
where:
Base-Base interactions energy: -37.741
where: short stacking energy: -29.314
Base-Backbone interact. energy: -0.157
local terms energy: -43.948196
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: 0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -255.271294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.271294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.271294 (E_RNA)
where:
Base-Base interactions energy: -176.988
where: short stacking energy: -62.230
Base-Backbone interact. energy: 0.925
local terms energy: -79.208769
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -229.344481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.344481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.344481 (E_RNA)
where:
Base-Base interactions energy: -157.008
where: short stacking energy: -59.438
Base-Backbone interact. energy: -0.691
local terms energy: -71.645076
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -245.157326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.157326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.157326 (E_RNA)
where:
Base-Base interactions energy: -163.626
where: short stacking energy: -64.384
Base-Backbone interact. energy: -0.180
local terms energy: -81.352009
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -189.000695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.000695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.000695 (E_RNA)
where:
Base-Base interactions energy: -116.711
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.184
local terms energy: -72.105671
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -186.007129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.007129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.007129 (E_RNA)
where:
Base-Base interactions energy: -120.130
where: short stacking energy: -43.009
Base-Backbone interact. energy: -0.327
local terms energy: -65.550010
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -182.906727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.906727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.906727 (E_RNA)
where:
Base-Base interactions energy: -117.729
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.623
local terms energy: -64.555139
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -93.859223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.859223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.859223 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -37.862
Base-Backbone interact. energy: -0.068
local terms energy: -54.390884
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -4.505
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: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -96.633477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.633477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.633477 (E_RNA)
where:
Base-Base interactions energy: -36.620
where: short stacking energy: -36.620
Base-Backbone interact. energy: -0.750
local terms energy: -59.263192
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -12.533
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: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -88.421039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.421039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.421039 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -26.774
Base-Backbone interact. energy: -0.305
local terms energy: -53.933636
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: 4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -87.126916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.126916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.126916 (E_RNA)
where:
Base-Base interactions energy: -39.940
where: short stacking energy: -38.216
Base-Backbone interact. energy: -0.302
local terms energy: -46.885096
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -6.570
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -2.750
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: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -244.098275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.098275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.098275 (E_RNA)
where:
Base-Base interactions energy: -168.032
where: short stacking energy: -67.820
Base-Backbone interact. energy: -0.460
local terms energy: -75.605935
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -13.673
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: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -256.203698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.203698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.203698 (E_RNA)
where:
Base-Base interactions energy: -177.273
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.635
local terms energy: -78.295717
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -208.789475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.789475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.789475 (E_RNA)
where:
Base-Base interactions energy: -138.873
where: short stacking energy: -56.693
Base-Backbone interact. energy: 2.217
local terms energy: -72.134024
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -158.114360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.114360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.114360 (E_RNA)
where:
Base-Base interactions energy: -104.872
where: short stacking energy: -47.867
Base-Backbone interact. energy: -0.275
local terms energy: -52.967264
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -175.710573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.710573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.710573 (E_RNA)
where:
Base-Base interactions energy: -107.711
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.174
local terms energy: -67.825814
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -156.920761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.920761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.920761 (E_RNA)
where:
Base-Base interactions energy: -97.755
where: short stacking energy: -42.584
Base-Backbone interact. energy: -0.566
local terms energy: -58.600173
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -106.979506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.979506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.979506 (E_RNA)
where:
Base-Base interactions energy: -61.617
where: short stacking energy: -35.448
Base-Backbone interact. energy: -0.312
local terms energy: -45.050337
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: 1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -90.137835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.137835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.137835 (E_RNA)
where:
Base-Base interactions energy: -37.494
where: short stacking energy: -37.494
Base-Backbone interact. energy: -0.304
local terms energy: -52.339026
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -3.053
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -98.055503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.055503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.055503 (E_RNA)
where:
Base-Base interactions energy: -31.892
where: short stacking energy: -29.325
Base-Backbone interact. energy: -0.034
local terms energy: -66.129572
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -84.342730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.342730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.342730 (E_RNA)
where:
Base-Base interactions energy: -41.469
where: short stacking energy: -36.952
Base-Backbone interact. energy: -0.100
local terms energy: -42.773476
where:
bonds (distance) C4'-P energy: -7.895
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -2.982
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: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -254.075874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.075874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.075874 (E_RNA)
where:
Base-Base interactions energy: -172.492
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.679
local terms energy: -80.905007
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -11.176
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: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -246.260705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.260705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.260705 (E_RNA)
where:
Base-Base interactions energy: -173.432
where: short stacking energy: -73.055
Base-Backbone interact. energy: -0.320
local terms energy: -72.508862
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -210.294469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.294469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.294469 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -51.734
Base-Backbone interact. energy: -0.439
local terms energy: -61.454771
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -164.791580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.791580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.791580 (E_RNA)
where:
Base-Base interactions energy: -101.151
where: short stacking energy: -49.514
Base-Backbone interact. energy: -0.173
local terms energy: -63.467162
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -147.063858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.063858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.063858 (E_RNA)
where:
Base-Base interactions energy: -75.954
where: short stacking energy: -45.927
Base-Backbone interact. energy: 0.979
local terms energy: -72.088582
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -173.300989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.300989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.300989 (E_RNA)
where:
Base-Base interactions energy: -108.760
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.096
local terms energy: -64.444734
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -97.407365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.407365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.407365 (E_RNA)
where:
Base-Base interactions energy: -41.762
where: short stacking energy: -35.250
Base-Backbone interact. energy: -0.067
local terms energy: -55.578096
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -2.511
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: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -93.075543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.075543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.075543 (E_RNA)
where:
Base-Base interactions energy: -37.493
where: short stacking energy: -29.522
Base-Backbone interact. energy: 0.279
local terms energy: -55.860955
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -74.886390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.886390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.886390 (E_RNA)
where:
Base-Base interactions energy: -18.794
where: short stacking energy: -14.224
Base-Backbone interact. energy: -0.558
local terms energy: -55.534681
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.848
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: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -90.834958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.834958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.834958 (E_RNA)
where:
Base-Base interactions energy: -34.092
where: short stacking energy: -34.092
Base-Backbone interact. energy: -0.114
local terms energy: -56.629311
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -259.041863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.041863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.041863 (E_RNA)
where:
Base-Base interactions energy: -178.488
where: short stacking energy: -73.013
Base-Backbone interact. energy: 0.335
local terms energy: -80.889252
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -250.868953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.868953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.868953 (E_RNA)
where:
Base-Base interactions energy: -173.806
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.331
local terms energy: -76.732386
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -215.625534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.625534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.625534 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.266
local terms energy: -69.567513
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -179.418342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.418342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.418342 (E_RNA)
where:
Base-Base interactions energy: -112.185
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.008
local terms energy: -67.225659
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -179.771192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.771192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.771192 (E_RNA)
where:
Base-Base interactions energy: -109.430
where: short stacking energy: -60.257
Base-Backbone interact. energy: -0.166
local terms energy: -70.174885
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -175.061278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.061278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.061278 (E_RNA)
where:
Base-Base interactions energy: -105.058
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.370
local terms energy: -69.633190
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -10.766
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: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -89.158059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.158059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.158059 (E_RNA)
where:
Base-Base interactions energy: -36.871
where: short stacking energy: -29.008
Base-Backbone interact. energy: -0.159
local terms energy: -52.128776
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -90.590733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.590733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.590733 (E_RNA)
where:
Base-Base interactions energy: -27.906
where: short stacking energy: -25.773
Base-Backbone interact. energy: -0.161
local terms energy: -62.523234
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -102.093241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.093241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.093241 (E_RNA)
where:
Base-Base interactions energy: -37.542
where: short stacking energy: -31.878
Base-Backbone interact. energy: -0.080
local terms energy: -64.471172
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -91.313923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.313923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.313923 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -34.982
Base-Backbone interact. energy: -0.028
local terms energy: -55.177228
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -2.878
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: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -258.757642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.757642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.757642 (E_RNA)
where:
Base-Base interactions energy: -176.972
where: short stacking energy: -68.340
Base-Backbone interact. energy: -0.603
local terms energy: -81.182438
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -257.136297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.136297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.136297 (E_RNA)
where:
Base-Base interactions energy: -177.872
where: short stacking energy: -73.152
Base-Backbone interact. energy: -0.812
local terms energy: -78.452880
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -212.742847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.742847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.742847 (E_RNA)
where:
Base-Base interactions energy: -140.168
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.256
local terms energy: -72.319545
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -190.170630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.170630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.170630 (E_RNA)
where:
Base-Base interactions energy: -112.217
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.001
local terms energy: -77.951849
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -179.905801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.905801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.905801 (E_RNA)
where:
Base-Base interactions energy: -117.010
where: short stacking energy: -51.837
Base-Backbone interact. energy: 0.368
local terms energy: -63.263588
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -13.782
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: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -159.717686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.717686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.717686 (E_RNA)
where:
Base-Base interactions energy: -99.831
where: short stacking energy: -42.684
Base-Backbone interact. energy: -0.604
local terms energy: -59.282395
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -13.529
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: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -95.826738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.826738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.826738 (E_RNA)
where:
Base-Base interactions energy: -47.831
where: short stacking energy: -30.422
Base-Backbone interact. energy: -0.779
local terms energy: -47.215988
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -105.843926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.843926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.843926 (E_RNA)
where:
Base-Base interactions energy: -50.170
where: short stacking energy: -33.658
Base-Backbone interact. energy: -0.551
local terms energy: -55.122760
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -13.719
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: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -104.209828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.209828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.209828 (E_RNA)
where:
Base-Base interactions energy: -53.119
where: short stacking energy: -46.618
Base-Backbone interact. energy: -0.071
local terms energy: -51.019919
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -9.544
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: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -88.122952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.122952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.122952 (E_RNA)
where:
Base-Base interactions energy: -40.283
where: short stacking energy: -35.731
Base-Backbone interact. energy: -0.055
local terms energy: -47.785350
where:
bonds (distance) C4'-P energy: -6.890
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -10.017
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: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -244.256605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.256605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.256605 (E_RNA)
where:
Base-Base interactions energy: -162.888
where: short stacking energy: -74.897
Base-Backbone interact. energy: 0.847
local terms energy: -82.215083
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -20.931
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: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -252.091705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.091705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.091705 (E_RNA)
where:
Base-Base interactions energy: -171.565
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.358
local terms energy: -80.168826
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -221.763516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.763516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.763516 (E_RNA)
where:
Base-Base interactions energy: -147.291
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.357
local terms energy: -74.116285
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -204.426801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.426801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426801 (E_RNA)
where:
Base-Base interactions energy: -136.207
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.155
local terms energy: -68.064695
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -192.306716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.306716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.306716 (E_RNA)
where:
Base-Base interactions energy: -112.217
where: short stacking energy: -58.578
Base-Backbone interact. energy: -0.057
local terms energy: -80.033251
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -183.816825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.816825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.816825 (E_RNA)
where:
Base-Base interactions energy: -109.280
where: short stacking energy: -50.671
Base-Backbone interact. energy: -0.455
local terms energy: -74.081680
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -104.941017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.941017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.941017 (E_RNA)
where:
Base-Base interactions energy: -42.581
where: short stacking energy: -35.232
Base-Backbone interact. energy: -1.072
local terms energy: -61.288326
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -90.360087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.360087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.360087 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -39.512
Base-Backbone interact. energy: 0.189
local terms energy: -51.037330
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -8.836
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -107.544316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.544316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.544316 (E_RNA)
where:
Base-Base interactions energy: -53.963
where: short stacking energy: -36.741
Base-Backbone interact. energy: -0.131
local terms energy: -53.450086
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -11.487
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: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -95.291259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.291259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.291259 (E_RNA)
where:
Base-Base interactions energy: -46.506
where: short stacking energy: -40.827
Base-Backbone interact. energy: 2.794
local terms energy: -51.578334
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -246.130195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.130195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.130195 (E_RNA)
where:
Base-Base interactions energy: -159.836
where: short stacking energy: -67.427
Base-Backbone interact. energy: -0.171
local terms energy: -86.123472
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -13.555
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: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -239.702471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.702471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.702471 (E_RNA)
where:
Base-Base interactions energy: -152.836
where: short stacking energy: -66.168
Base-Backbone interact. energy: -0.172
local terms energy: -86.694347
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -220.438600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.438600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.438600 (E_RNA)
where:
Base-Base interactions energy: -137.116
where: short stacking energy: -63.229
Base-Backbone interact. energy: -1.985
local terms energy: -81.336802
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -223.842132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.842132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.842132 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -63.717
Base-Backbone interact. energy: -0.452
local terms energy: -75.043714
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -203.293151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.293151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.293151 (E_RNA)
where:
Base-Base interactions energy: -132.250
where: short stacking energy: -61.265
Base-Backbone interact. energy: -0.295
local terms energy: -70.748159
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -165.020832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.020832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.020832 (E_RNA)
where:
Base-Base interactions energy: -100.044
where: short stacking energy: -50.822
Base-Backbone interact. energy: -0.139
local terms energy: -64.837411
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -105.511431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.511431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.511431 (E_RNA)
where:
Base-Base interactions energy: -43.442
where: short stacking energy: -37.354
Base-Backbone interact. energy: 0.432
local terms energy: -62.501169
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -102.260073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.260073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.260073 (E_RNA)
where:
Base-Base interactions energy: -40.109
where: short stacking energy: -30.204
Base-Backbone interact. energy: -1.089
local terms energy: -61.061491
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -7.462
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: 244
Temperature: 1.300000
Total energy: -87.974651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.974651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.974651 (E_RNA)
where:
Base-Base interactions energy: -35.317
where: short stacking energy: -25.783
Base-Backbone interact. energy: -0.122
local terms energy: -52.536144
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -92.651896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.651896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.651896 (E_RNA)
where:
Base-Base interactions energy: -38.720
where: short stacking energy: -31.584
Base-Backbone interact. energy: -0.271
local terms energy: -53.661207
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -247.182350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.182350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.182350 (E_RNA)
where:
Base-Base interactions energy: -167.430
where: short stacking energy: -75.885
Base-Backbone interact. energy: -0.195
local terms energy: -79.557974
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -233.810757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.810757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.810757 (E_RNA)
where:
Base-Base interactions energy: -155.500
where: short stacking energy: -70.946
Base-Backbone interact. energy: -0.769
local terms energy: -77.542394
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -204.468511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.468511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.468511 (E_RNA)
where:
Base-Base interactions energy: -132.137
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.194
local terms energy: -72.137467
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -12.358
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: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -222.823608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.823608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.823608 (E_RNA)
where:
Base-Base interactions energy: -158.644
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.400
local terms energy: -63.779355
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -189.937560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.937560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.937560 (E_RNA)
where:
Base-Base interactions energy: -110.801
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.772
local terms energy: -78.364486
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -169.295639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.295639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.295639 (E_RNA)
where:
Base-Base interactions energy: -106.209
where: short stacking energy: -48.373
Base-Backbone interact. energy: -0.105
local terms energy: -62.981146
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -107.332670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.332670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.332670 (E_RNA)
where:
Base-Base interactions energy: -54.384
where: short stacking energy: -40.803
Base-Backbone interact. energy: -0.081
local terms energy: -52.867775
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -85.466435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.466435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.466435 (E_RNA)
where:
Base-Base interactions energy: -22.626
where: short stacking energy: -24.326
Base-Backbone interact. energy: -1.187
local terms energy: -61.653807
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -7.020
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: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -86.299802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.299802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.299802 (E_RNA)
where:
Base-Base interactions energy: -28.532
where: short stacking energy: -27.834
Base-Backbone interact. energy: -0.149
local terms energy: -57.618883
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -87.739053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739053 (E_RNA)
where:
Base-Base interactions energy: -33.320
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.497
local terms energy: -53.921396
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -239.780197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.780197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.780197 (E_RNA)
where:
Base-Base interactions energy: -166.900
where: short stacking energy: -78.541
Base-Backbone interact. energy: -0.341
local terms energy: -72.538788
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -19.506
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: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -245.900161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.900161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.900161 (E_RNA)
where:
Base-Base interactions energy: -162.297
where: short stacking energy: -70.284
Base-Backbone interact. energy: -1.032
local terms energy: -82.571209
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -20.780
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: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -237.227638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.227638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.227638 (E_RNA)
where:
Base-Base interactions energy: -161.780
where: short stacking energy: -64.514
Base-Backbone interact. energy: -1.571
local terms energy: -73.876359
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -14.461
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: 246
Temperature: 1.050000
Total energy: -199.658079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.658079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.658079 (E_RNA)
where:
Base-Base interactions energy: -132.871
where: short stacking energy: -64.648
Base-Backbone interact. energy: -1.446
local terms energy: -65.340949
where:
bonds (distance) C4'-P energy: -7.660
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -11.525
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: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -182.933182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.933182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.933182 (E_RNA)
where:
Base-Base interactions energy: -113.569
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.227
local terms energy: -69.137335
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -9.934
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: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -171.049013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.049013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.049013 (E_RNA)
where:
Base-Base interactions energy: -100.591
where: short stacking energy: -43.000
Base-Backbone interact. energy: -1.153
local terms energy: -69.304302
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -10.020
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: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -89.843813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.843813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.843813 (E_RNA)
where:
Base-Base interactions energy: -32.356
where: short stacking energy: -33.605
Base-Backbone interact. energy: -0.079
local terms energy: -57.408211
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -1.469
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: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -86.667617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.667617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.667617 (E_RNA)
where:
Base-Base interactions energy: -38.981
where: short stacking energy: -29.214
Base-Backbone interact. energy: -0.355
local terms energy: -47.332095
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -7.118
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: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -91.260926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.260926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.260926 (E_RNA)
where:
Base-Base interactions energy: -49.629
where: short stacking energy: -30.365
Base-Backbone interact. energy: -0.105
local terms energy: -41.527218
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -87.795530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.795530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.795530 (E_RNA)
where:
Base-Base interactions energy: -29.297
where: short stacking energy: -29.297
Base-Backbone interact. energy: -0.259
local terms energy: -58.239160
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -240.738159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.738159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.738159 (E_RNA)
where:
Base-Base interactions energy: -156.581
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.150
local terms energy: -84.007884
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -230.748802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.748802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.748802 (E_RNA)
where:
Base-Base interactions energy: -161.248
where: short stacking energy: -65.306
Base-Backbone interact. energy: 0.321
local terms energy: -69.821541
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -11.870
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: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -240.359801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.359801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.359801 (E_RNA)
where:
Base-Base interactions energy: -156.054
where: short stacking energy: -68.418
Base-Backbone interact. energy: -0.446
local terms energy: -83.859291
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -182.474175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.474175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.474175 (E_RNA)
where:
Base-Base interactions energy: -113.565
where: short stacking energy: -57.913
Base-Backbone interact. energy: -0.180
local terms energy: -68.729604
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -195.254305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.254305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.254305 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.932
local terms energy: -65.605756
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -5.493
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: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -162.905139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.905139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.905139 (E_RNA)
where:
Base-Base interactions energy: -99.621
where: short stacking energy: -49.319
Base-Backbone interact. energy: 0.361
local terms energy: -63.645509
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -93.336583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.336583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.336583 (E_RNA)
where:
Base-Base interactions energy: -46.496
where: short stacking energy: -33.425
Base-Backbone interact. energy: -0.201
local terms energy: -46.639609
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: 0.535
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: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -107.554512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.554512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.554512 (E_RNA)
where:
Base-Base interactions energy: -48.666
where: short stacking energy: -31.850
Base-Backbone interact. energy: -1.019
local terms energy: -57.869619
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -85.905208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.905208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.905208 (E_RNA)
where:
Base-Base interactions energy: -33.277
where: short stacking energy: -31.664
Base-Backbone interact. energy: -0.103
local terms energy: -52.524524
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -82.970206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970206 (E_RNA)
where:
Base-Base interactions energy: -31.288
where: short stacking energy: -26.924
Base-Backbone interact. energy: -0.576
local terms energy: -51.106599
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -5.972
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -249.120407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.120407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.120407 (E_RNA)
where:
Base-Base interactions energy: -179.518
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.176
local terms energy: -69.426259
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -240.073815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.073815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.073815 (E_RNA)
where:
Base-Base interactions energy: -166.215
where: short stacking energy: -67.457
Base-Backbone interact. energy: -0.571
local terms energy: -73.288190
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -14.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -236.264364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.264364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.264364 (E_RNA)
where:
Base-Base interactions energy: -168.614
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.056
local terms energy: -67.594036
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -202.277547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.277547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.277547 (E_RNA)
where:
Base-Base interactions energy: -128.977
where: short stacking energy: -73.786
Base-Backbone interact. energy: -0.055
local terms energy: -73.245645
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -197.094123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.094123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.094123 (E_RNA)
where:
Base-Base interactions energy: -121.369
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.366
local terms energy: -75.359191
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -164.098321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.098321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.098321 (E_RNA)
where:
Base-Base interactions energy: -97.429
where: short stacking energy: -56.797
Base-Backbone interact. energy: -0.194
local terms energy: -66.475312
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -114.950750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.950750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.950750 (E_RNA)
where:
Base-Base interactions energy: -51.029
where: short stacking energy: -34.729
Base-Backbone interact. energy: -0.177
local terms energy: -63.745094
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -96.277799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.277799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.277799 (E_RNA)
where:
Base-Base interactions energy: -50.630
where: short stacking energy: -37.236
Base-Backbone interact. energy: -0.122
local terms energy: -45.526004
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -1.138
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -89.768815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.768815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.768815 (E_RNA)
where:
Base-Base interactions energy: -38.908
where: short stacking energy: -38.908
Base-Backbone interact. energy: -0.141
local terms energy: -50.719672
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -83.738547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.738547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.738547 (E_RNA)
where:
Base-Base interactions energy: -27.948
where: short stacking energy: -25.660
Base-Backbone interact. energy: -0.201
local terms energy: -55.590159
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -261.682818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.682818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.682818 (E_RNA)
where:
Base-Base interactions energy: -185.077
where: short stacking energy: -72.060
Base-Backbone interact. energy: 0.629
local terms energy: -77.235086
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -241.578423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.578423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.578423 (E_RNA)
where:
Base-Base interactions energy: -156.089
where: short stacking energy: -75.771
Base-Backbone interact. energy: -0.106
local terms energy: -85.382784
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -227.392221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.392221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.392221 (E_RNA)
where:
Base-Base interactions energy: -153.258
where: short stacking energy: -67.016
Base-Backbone interact. energy: 1.690
local terms energy: -75.825012
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -11.202
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: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -217.969404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.969404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.969404 (E_RNA)
where:
Base-Base interactions energy: -130.059
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.085
local terms energy: -87.825949
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -23.312
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: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -188.767902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.767902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.767902 (E_RNA)
where:
Base-Base interactions energy: -118.285
where: short stacking energy: -63.687
Base-Backbone interact. energy: -0.059
local terms energy: -70.424692
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -178.873066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.873066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.873066 (E_RNA)
where:
Base-Base interactions energy: -110.195
where: short stacking energy: -56.053
Base-Backbone interact. energy: -0.006
local terms energy: -68.672707
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -114.737495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.737495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.737495 (E_RNA)
where:
Base-Base interactions energy: -48.442
where: short stacking energy: -46.016
Base-Backbone interact. energy: -0.129
local terms energy: -66.166480
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -97.136410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.136410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.136410 (E_RNA)
where:
Base-Base interactions energy: -44.692
where: short stacking energy: -26.867
Base-Backbone interact. energy: -0.475
local terms energy: -51.969641
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -88.468700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.468700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.468700 (E_RNA)
where:
Base-Base interactions energy: -30.078
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.246
local terms energy: -58.144924
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -85.071871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.071871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.071871 (E_RNA)
where:
Base-Base interactions energy: -50.722
where: short stacking energy: -33.138
Base-Backbone interact. energy: 1.146
local terms energy: -35.496136
where:
bonds (distance) C4'-P energy: -7.514
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: 1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -257.671690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.671690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.671690 (E_RNA)
where:
Base-Base interactions energy: -182.509
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.598
local terms energy: -74.563810
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -7.036
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: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -239.992357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.992357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.992357 (E_RNA)
where:
Base-Base interactions energy: -162.178
where: short stacking energy: -75.719
Base-Backbone interact. energy: -0.178
local terms energy: -77.636327
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -226.905862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.905862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.905862 (E_RNA)
where:
Base-Base interactions energy: -154.030
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.277
local terms energy: -72.598585
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -184.515597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.515597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.515597 (E_RNA)
where:
Base-Base interactions energy: -115.285
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.158
local terms energy: -69.072886
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -173.009202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.009202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.009202 (E_RNA)
where:
Base-Base interactions energy: -101.186
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.064
local terms energy: -71.759794
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -179.166793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.166793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.166793 (E_RNA)
where:
Base-Base interactions energy: -118.973
where: short stacking energy: -52.585
Base-Backbone interact. energy: -0.177
local terms energy: -60.017232
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -15.246
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: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -102.597506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.597506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.597506 (E_RNA)
where:
Base-Base interactions energy: -38.638
where: short stacking energy: -38.282
Base-Backbone interact. energy: -0.125
local terms energy: -63.834585
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.599
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: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -89.273095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273095 (E_RNA)
where:
Base-Base interactions energy: -43.864
where: short stacking energy: -28.892
Base-Backbone interact. energy: 0.753
local terms energy: -46.161970
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: 1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -91.829639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.829639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.829639 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -30.349
Base-Backbone interact. energy: 2.186
local terms energy: -56.719343
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -7.291
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: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -80.704409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.704409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.704409 (E_RNA)
where:
Base-Base interactions energy: -22.738
where: short stacking energy: -23.538
Base-Backbone interact. energy: -0.067
local terms energy: -57.899696
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -250.517745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.517745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.517745 (E_RNA)
where:
Base-Base interactions energy: -170.063
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.348
local terms energy: -80.106561
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -244.774424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.774424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.774424 (E_RNA)
where:
Base-Base interactions energy: -165.033
where: short stacking energy: -71.783
Base-Backbone interact. energy: -0.580
local terms energy: -79.161650
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -226.376868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.376868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.376868 (E_RNA)
where:
Base-Base interactions energy: -155.861
where: short stacking energy: -71.069
Base-Backbone interact. energy: -0.075
local terms energy: -70.440631
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -9.478
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: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -190.403969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.403969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.403969 (E_RNA)
where:
Base-Base interactions energy: -123.486
where: short stacking energy: -61.356
Base-Backbone interact. energy: -0.034
local terms energy: -66.883204
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -186.137193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.137193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.137193 (E_RNA)
where:
Base-Base interactions energy: -108.354
where: short stacking energy: -54.207
Base-Backbone interact. energy: -0.353
local terms energy: -77.430242
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -180.794532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.794532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.794532 (E_RNA)
where:
Base-Base interactions energy: -104.604
where: short stacking energy: -51.409
Base-Backbone interact. energy: -0.134
local terms energy: -76.056382
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -111.423833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.423833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.423833 (E_RNA)
where:
Base-Base interactions energy: -44.568
where: short stacking energy: -44.568
Base-Backbone interact. energy: -0.614
local terms energy: -66.242120
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -98.846177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.846177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.846177 (E_RNA)
where:
Base-Base interactions energy: -40.761
where: short stacking energy: -23.687
Base-Backbone interact. energy: -1.133
local terms energy: -56.951499
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: 0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -82.276650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.276650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.276650 (E_RNA)
where:
Base-Base interactions energy: -33.659
where: short stacking energy: -31.929
Base-Backbone interact. energy: -0.289
local terms energy: -48.328471
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -5.513
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -89.757108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.757108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.757108 (E_RNA)
where:
Base-Base interactions energy: -30.699
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.015
local terms energy: -59.042671
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -256.298501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.298501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.298501 (E_RNA)
where:
Base-Base interactions energy: -175.469
where: short stacking energy: -73.392
Base-Backbone interact. energy: -0.773
local terms energy: -80.056606
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -19.081
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: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -231.931449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.931449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.931449 (E_RNA)
where:
Base-Base interactions energy: -158.897
where: short stacking energy: -69.212
Base-Backbone interact. energy: -0.500
local terms energy: -72.534928
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -5.605
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: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -225.781064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.781064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.781064 (E_RNA)
where:
Base-Base interactions energy: -145.961
where: short stacking energy: -66.020
Base-Backbone interact. energy: -0.973
local terms energy: -78.847560
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -209.219599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.219599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.219599 (E_RNA)
where:
Base-Base interactions energy: -128.986
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.154
local terms energy: -80.079136
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -186.394935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.394935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.394935 (E_RNA)
where:
Base-Base interactions energy: -113.149
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.130
local terms energy: -73.116726
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -167.088400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.088400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.088400 (E_RNA)
where:
Base-Base interactions energy: -98.578
where: short stacking energy: -49.851
Base-Backbone interact. energy: -0.596
local terms energy: -67.914477
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -11.707
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: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -94.928024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.928024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.928024 (E_RNA)
where:
Base-Base interactions energy: -43.281
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.009
local terms energy: -51.638208
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -90.124453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.124453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.124453 (E_RNA)
where:
Base-Base interactions energy: -28.496
where: short stacking energy: -28.496
Base-Backbone interact. energy: -0.333
local terms energy: -61.295678
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -75.725920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.725920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.725920 (E_RNA)
where:
Base-Base interactions energy: -32.148
where: short stacking energy: -20.603
Base-Backbone interact. energy: -1.601
local terms energy: -41.977076
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: 5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -91.083627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.083627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.083627 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -35.242
Base-Backbone interact. energy: 1.318
local terms energy: -56.090013
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -259.684870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.684870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.684870 (E_RNA)
where:
Base-Base interactions energy: -183.541
where: short stacking energy: -71.092
Base-Backbone interact. energy: -0.235
local terms energy: -75.909223
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -235.566266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.566266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.566266 (E_RNA)
where:
Base-Base interactions energy: -161.511
where: short stacking energy: -72.307
Base-Backbone interact. energy: -0.156
local terms energy: -73.899803
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -9.608
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -237.839024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.839024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.839024 (E_RNA)
where:
Base-Base interactions energy: -157.440
where: short stacking energy: -76.784
Base-Backbone interact. energy: -0.100
local terms energy: -80.298944
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -19.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -197.317621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.317621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.317621 (E_RNA)
where:
Base-Base interactions energy: -123.741
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.006
local terms energy: -73.571134
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -205.125226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.125226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.125226 (E_RNA)
where:
Base-Base interactions energy: -129.952
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.784
local terms energy: -74.389838
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -10.952
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: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -176.420490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.420490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.420490 (E_RNA)
where:
Base-Base interactions energy: -112.014
where: short stacking energy: -50.538
Base-Backbone interact. energy: -0.408
local terms energy: -63.998800
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -93.455015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.455015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.455015 (E_RNA)
where:
Base-Base interactions energy: -34.419
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.109
local terms energy: -58.927259
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -91.099290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.099290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.099290 (E_RNA)
where:
Base-Base interactions energy: -36.671
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.174
local terms energy: -54.254379
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -2.900
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -91.168181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168181 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -23.994
Base-Backbone interact. energy: -0.173
local terms energy: -58.818119
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: 1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -81.237439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.237439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.237439 (E_RNA)
where:
Base-Base interactions energy: -30.112
where: short stacking energy: -23.551
Base-Backbone interact. energy: -0.308
local terms energy: -50.818006
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -257.343291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.343291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.343291 (E_RNA)
where:
Base-Base interactions energy: -180.277
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.579
local terms energy: -76.487114
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -229.257679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.257679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.257679 (E_RNA)
where:
Base-Base interactions energy: -152.678
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.353
local terms energy: -76.227440
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -208.587845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.587845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.587845 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.299
local terms energy: -76.213546
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -14.378
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: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -219.323192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.323192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.323192 (E_RNA)
where:
Base-Base interactions energy: -146.375
where: short stacking energy: -57.754
Base-Backbone interact. energy: -0.203
local terms energy: -72.744573
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -193.035222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.035222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.035222 (E_RNA)
where:
Base-Base interactions energy: -117.106
where: short stacking energy: -60.344
Base-Backbone interact. energy: -0.019
local terms energy: -75.909995
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -168.764220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.764220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.764220 (E_RNA)
where:
Base-Base interactions energy: -103.658
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.903
local terms energy: -64.202736
where:
bonds (distance) C4'-P energy: -6.765
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -107.488474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.488474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.488474 (E_RNA)
where:
Base-Base interactions energy: -53.537
where: short stacking energy: -30.888
Base-Backbone interact. energy: 0.377
local terms energy: -54.328931
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -77.538429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.538429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.538429 (E_RNA)
where:
Base-Base interactions energy: -30.992
where: short stacking energy: -27.550
Base-Backbone interact. energy: -0.285
local terms energy: -46.261213
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -3.479
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: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -93.562596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.562596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.562596 (E_RNA)
where:
Base-Base interactions energy: -37.431
where: short stacking energy: -31.680
Base-Backbone interact. energy: -0.576
local terms energy: -55.555224
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -95.831961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.831961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.831961 (E_RNA)
where:
Base-Base interactions energy: -41.426
where: short stacking energy: -29.840
Base-Backbone interact. energy: -0.025
local terms energy: -54.381369
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -5.561
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: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -244.074527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.074527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.074527 (E_RNA)
where:
Base-Base interactions energy: -161.667
where: short stacking energy: -75.879
Base-Backbone interact. energy: -0.149
local terms energy: -82.258100
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -17.663
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: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -232.408017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.408017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.408017 (E_RNA)
where:
Base-Base interactions energy: -165.135
where: short stacking energy: -66.575
Base-Backbone interact. energy: -0.362
local terms energy: -66.911619
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -220.948985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.948985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.948985 (E_RNA)
where:
Base-Base interactions energy: -139.096
where: short stacking energy: -77.969
Base-Backbone interact. energy: -1.645
local terms energy: -80.207749
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -226.677631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.677631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.677631 (E_RNA)
where:
Base-Base interactions energy: -159.765
where: short stacking energy: -60.552
Base-Backbone interact. energy: 0.458
local terms energy: -67.370606
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -207.219807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.219807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.219807 (E_RNA)
where:
Base-Base interactions energy: -131.454
where: short stacking energy: -77.407
Base-Backbone interact. energy: -0.051
local terms energy: -75.714822
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -161.689775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.689775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.689775 (E_RNA)
where:
Base-Base interactions energy: -98.800
where: short stacking energy: -47.231
Base-Backbone interact. energy: -0.206
local terms energy: -62.683928
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -99.253839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.253839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.253839 (E_RNA)
where:
Base-Base interactions energy: -37.914
where: short stacking energy: -35.548
Base-Backbone interact. energy: -0.937
local terms energy: -60.402841
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -95.844562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.844562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.844562 (E_RNA)
where:
Base-Base interactions energy: -32.634
where: short stacking energy: -32.382
Base-Backbone interact. energy: -0.275
local terms energy: -62.935147
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -88.155212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.155212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.155212 (E_RNA)
where:
Base-Base interactions energy: -40.931
where: short stacking energy: -38.632
Base-Backbone interact. energy: -0.010
local terms energy: -47.213888
where:
bonds (distance) C4'-P energy: -7.730
bonds (distance) P-C4' energy: -6.072
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.412
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: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -86.051596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.051596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.051596 (E_RNA)
where:
Base-Base interactions energy: -35.040
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.091
local terms energy: -50.920396
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -245.166003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.166003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.166003 (E_RNA)
where:
Base-Base interactions energy: -169.092
where: short stacking energy: -70.139
Base-Backbone interact. energy: -0.036
local terms energy: -76.038426
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -236.544693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.544693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.544693 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.357
local terms energy: -84.101678
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.417
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: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -234.785049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.785049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.785049 (E_RNA)
where:
Base-Base interactions energy: -161.006
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.960
local terms energy: -72.818729
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -6.801
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: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -226.018590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.018590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.018590 (E_RNA)
where:
Base-Base interactions energy: -142.460
where: short stacking energy: -84.176
Base-Backbone interact. energy: 0.256
local terms energy: -83.813986
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -25.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -185.974239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.974239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.974239 (E_RNA)
where:
Base-Base interactions energy: -115.172
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.057
local terms energy: -70.745226
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -179.279263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.279263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.279263 (E_RNA)
where:
Base-Base interactions energy: -108.604
where: short stacking energy: -53.700
Base-Backbone interact. energy: -0.002
local terms energy: -70.672806
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -93.685418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.685418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.685418 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -27.197
Base-Backbone interact. energy: 0.430
local terms energy: -60.230096
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -102.010305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.010305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.010305 (E_RNA)
where:
Base-Base interactions energy: -41.304
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.215
local terms energy: -60.490942
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -9.526
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: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -87.969244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.969244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.969244 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -30.267
Base-Backbone interact. energy: -0.142
local terms energy: -51.959799
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -90.311527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.311527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.311527 (E_RNA)
where:
Base-Base interactions energy: -37.302
where: short stacking energy: -26.524
Base-Backbone interact. energy: 1.169
local terms energy: -54.178154
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -242.358116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.358116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.358116 (E_RNA)
where:
Base-Base interactions energy: -159.509
where: short stacking energy: -78.446
Base-Backbone interact. energy: -0.990
local terms energy: -81.859395
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -12.959
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: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -235.313881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.313881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.313881 (E_RNA)
where:
Base-Base interactions energy: -161.184
where: short stacking energy: -73.884
Base-Backbone interact. energy: -0.283
local terms energy: -73.846844
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -234.140094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.140094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.140094 (E_RNA)
where:
Base-Base interactions energy: -165.532
where: short stacking energy: -73.005
Base-Backbone interact. energy: 0.484
local terms energy: -69.092284
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -186.733356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.733356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.733356 (E_RNA)
where:
Base-Base interactions energy: -118.102
where: short stacking energy: -50.672
Base-Backbone interact. energy: -0.235
local terms energy: -68.396900
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -7.946
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: 257
Temperature: 1.100000
Total energy: -183.219847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.219847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.219847 (E_RNA)
where:
Base-Base interactions energy: -124.001
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.029
local terms energy: -59.189609
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -6.663
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: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -183.979339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.979339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.979339 (E_RNA)
where:
Base-Base interactions energy: -116.936
where: short stacking energy: -57.127
Base-Backbone interact. energy: -0.806
local terms energy: -66.238174
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -11.237
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: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -101.226492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.226492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.226492 (E_RNA)
where:
Base-Base interactions energy: -46.210
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.199
local terms energy: -54.817554
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -93.039409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.039409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.039409 (E_RNA)
where:
Base-Base interactions energy: -51.332
where: short stacking energy: -23.778
Base-Backbone interact. energy: -0.306
local terms energy: -41.400910
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -0.471
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -88.269708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.269708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.269708 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -20.721
Base-Backbone interact. energy: -0.172
local terms energy: -56.688493
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -98.534021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.534021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.534021 (E_RNA)
where:
Base-Base interactions energy: -43.421
where: short stacking energy: -34.036
Base-Backbone interact. energy: -0.684
local terms energy: -54.428668
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -234.883225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.883225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.883225 (E_RNA)
where:
Base-Base interactions energy: -154.803
where: short stacking energy: -75.347
Base-Backbone interact. energy: -1.370
local terms energy: -78.710417
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -241.509380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.509380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.509380 (E_RNA)
where:
Base-Base interactions energy: -161.498
where: short stacking energy: -76.061
Base-Backbone interact. energy: -0.263
local terms energy: -79.748824
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -198.394483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.394483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.394483 (E_RNA)
where:
Base-Base interactions energy: -134.686
where: short stacking energy: -61.088
Base-Backbone interact. energy: -0.023
local terms energy: -63.685529
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -13.200
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: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -225.952664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952664 (E_RNA)
where:
Base-Base interactions energy: -160.459
where: short stacking energy: -69.647
Base-Backbone interact. energy: -0.143
local terms energy: -65.350966
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -8.488
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: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -197.964168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.964168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.964168 (E_RNA)
where:
Base-Base interactions energy: -129.246
where: short stacking energy: -68.143
Base-Backbone interact. energy: 0.858
local terms energy: -69.576194
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -185.772438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.772438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.772438 (E_RNA)
where:
Base-Base interactions energy: -121.729
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.028
local terms energy: -64.016107
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -101.344185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.344185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.344185 (E_RNA)
where:
Base-Base interactions energy: -43.987
where: short stacking energy: -42.048
Base-Backbone interact. energy: 0.730
local terms energy: -58.087209
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -92.767185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.767185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.767185 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.096
local terms energy: -57.142590
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -95.386173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.386173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.386173 (E_RNA)
where:
Base-Base interactions energy: -38.626
where: short stacking energy: -26.974
Base-Backbone interact. energy: -0.147
local terms energy: -56.612790
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -6.206
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: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -87.843847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.843847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.843847 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -33.920
Base-Backbone interact. energy: -0.788
local terms energy: -52.233280
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -244.393129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.393129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.393129 (E_RNA)
where:
Base-Base interactions energy: -173.251
where: short stacking energy: -67.335
Base-Backbone interact. energy: 1.194
local terms energy: -72.335888
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -215.217385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.217385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.217385 (E_RNA)
where:
Base-Base interactions energy: -133.137
where: short stacking energy: -71.911
Base-Backbone interact. energy: -0.375
local terms energy: -81.704578
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -232.122396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.122396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.122396 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -73.835
Base-Backbone interact. energy: -0.154
local terms energy: -77.860874
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -222.456798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.456798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.456798 (E_RNA)
where:
Base-Base interactions energy: -160.526
where: short stacking energy: -65.047
Base-Backbone interact. energy: 0.296
local terms energy: -62.227291
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -7.397
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.807
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: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -200.102467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.102467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.102467 (E_RNA)
where:
Base-Base interactions energy: -119.162
where: short stacking energy: -55.643
Base-Backbone interact. energy: -0.606
local terms energy: -80.334637
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -196.407687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.407687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.407687 (E_RNA)
where:
Base-Base interactions energy: -122.140
where: short stacking energy: -65.499
Base-Backbone interact. energy: -0.088
local terms energy: -74.178954
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -105.509358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.509358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.509358 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -35.710
Base-Backbone interact. energy: 0.674
local terms energy: -64.007976
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -90.136037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.136037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.136037 (E_RNA)
where:
Base-Base interactions energy: -31.779
where: short stacking energy: -31.561
Base-Backbone interact. energy: -0.025
local terms energy: -58.331957
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -82.326571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.326571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.326571 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -28.310
Base-Backbone interact. energy: 0.335
local terms energy: -51.432184
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -80.601808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.601808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.601808 (E_RNA)
where:
Base-Base interactions energy: -22.509
where: short stacking energy: -22.277
Base-Backbone interact. energy: -0.195
local terms energy: -57.897088
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -245.460117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.460117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.460117 (E_RNA)
where:
Base-Base interactions energy: -168.190
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.311
local terms energy: -76.959717
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -216.365864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.365864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.365864 (E_RNA)
where:
Base-Base interactions energy: -134.079
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.215
local terms energy: -82.071202
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -23.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -230.699899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.699899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.699899 (E_RNA)
where:
Base-Base interactions energy: -159.545
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.134
local terms energy: -71.020792
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -225.493324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.493324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.493324 (E_RNA)
where:
Base-Base interactions energy: -153.230
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.055
local terms energy: -72.208532
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -10.352
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: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -199.609358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.609358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.609358 (E_RNA)
where:
Base-Base interactions energy: -121.752
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.014
local terms energy: -77.842977
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -9.897
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: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -172.533496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.533496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.533496 (E_RNA)
where:
Base-Base interactions energy: -109.206
where: short stacking energy: -46.569
Base-Backbone interact. energy: 0.274
local terms energy: -63.601344
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -8.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -112.572559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.572559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.572559 (E_RNA)
where:
Base-Base interactions energy: -37.900
where: short stacking energy: -37.900
Base-Backbone interact. energy: -0.436
local terms energy: -74.235771
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -91.050474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.050474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.050474 (E_RNA)
where:
Base-Base interactions energy: -43.320
where: short stacking energy: -21.244
Base-Backbone interact. energy: -0.461
local terms energy: -47.269278
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: 4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -77.094035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.094035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.094035 (E_RNA)
where:
Base-Base interactions energy: -28.143
where: short stacking energy: -26.065
Base-Backbone interact. energy: -0.411
local terms energy: -48.539577
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: 4.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -82.700386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.700386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.700386 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -27.930
Base-Backbone interact. energy: -0.309
local terms energy: -52.300692
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -247.012388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.012388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.012388 (E_RNA)
where:
Base-Base interactions energy: -168.963
where: short stacking energy: -80.167
Base-Backbone interact. energy: -0.210
local terms energy: -77.838608
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -14.275
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: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -237.097318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.097318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.097318 (E_RNA)
where:
Base-Base interactions energy: -160.560
where: short stacking energy: -67.659
Base-Backbone interact. energy: -0.114
local terms energy: -76.422601
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -206.899689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.899689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.899689 (E_RNA)
where:
Base-Base interactions energy: -126.348
where: short stacking energy: -63.855
Base-Backbone interact. energy: -0.813
local terms energy: -79.738063
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -221.269761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269761 (E_RNA)
where:
Base-Base interactions energy: -145.903
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.909
local terms energy: -74.458229
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -8.884
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: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -193.152536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.152536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.152536 (E_RNA)
where:
Base-Base interactions energy: -110.323
where: short stacking energy: -62.522
Base-Backbone interact. energy: -1.349
local terms energy: -81.480358
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -180.625027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.625027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.625027 (E_RNA)
where:
Base-Base interactions energy: -113.536
where: short stacking energy: -55.028
Base-Backbone interact. energy: -0.407
local terms energy: -66.681693
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -100.707060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.707060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.707060 (E_RNA)
where:
Base-Base interactions energy: -40.783
where: short stacking energy: -41.383
Base-Backbone interact. energy: 0.501
local terms energy: -60.425056
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -98.764965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.764965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.764965 (E_RNA)
where:
Base-Base interactions energy: -47.614
where: short stacking energy: -44.544
Base-Backbone interact. energy: -0.080
local terms energy: -51.071017
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -79.476275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.476275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.476275 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -28.184
Base-Backbone interact. energy: -0.281
local terms energy: -51.011360
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -86.009243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.009243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.009243 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -28.038
Base-Backbone interact. energy: -0.113
local terms energy: -50.032643
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -247.987885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.987885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.987885 (E_RNA)
where:
Base-Base interactions energy: -167.144
where: short stacking energy: -72.892
Base-Backbone interact. energy: -0.201
local terms energy: -80.642635
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -237.950782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.950782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.950782 (E_RNA)
where:
Base-Base interactions energy: -165.411
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.893
local terms energy: -71.646662
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -234.928509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.928509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.928509 (E_RNA)
where:
Base-Base interactions energy: -168.288
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.750
local terms energy: -65.890747
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -195.835377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.835377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.835377 (E_RNA)
where:
Base-Base interactions energy: -121.908
where: short stacking energy: -58.136
Base-Backbone interact. energy: -0.072
local terms energy: -73.855436
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -174.508790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.508790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.508790 (E_RNA)
where:
Base-Base interactions energy: -114.479
where: short stacking energy: -61.912
Base-Backbone interact. energy: -0.133
local terms energy: -59.896691
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -10.051
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -13.493
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: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -181.703548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.703548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.703548 (E_RNA)
where:
Base-Base interactions energy: -114.713
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.293
local terms energy: -66.697321
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -116.204784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.204784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.204784 (E_RNA)
where:
Base-Base interactions energy: -59.249
where: short stacking energy: -30.848
Base-Backbone interact. energy: 0.399
local terms energy: -57.355656
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -99.000717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.000717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.000717 (E_RNA)
where:
Base-Base interactions energy: -45.165
where: short stacking energy: -35.237
Base-Backbone interact. energy: -0.001
local terms energy: -53.834807
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -100.643458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.643458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.643458 (E_RNA)
where:
Base-Base interactions energy: -51.694
where: short stacking energy: -37.345
Base-Backbone interact. energy: -0.403
local terms energy: -48.546149
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -1.004
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -77.899808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.899808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.899808 (E_RNA)
where:
Base-Base interactions energy: -24.423
where: short stacking energy: -18.234
Base-Backbone interact. energy: -0.057
local terms energy: -53.419658
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -8.345
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: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -257.863759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.863759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.863759 (E_RNA)
where:
Base-Base interactions energy: -179.633
where: short stacking energy: -73.908
Base-Backbone interact. energy: -0.309
local terms energy: -77.920962
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -244.404766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.404766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.404766 (E_RNA)
where:
Base-Base interactions energy: -167.721
where: short stacking energy: -61.730
Base-Backbone interact. energy: 0.325
local terms energy: -77.008852
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -218.797395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.797395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.797395 (E_RNA)
where:
Base-Base interactions energy: -148.467
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.316
local terms energy: -70.013980
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -199.200715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.200715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.200715 (E_RNA)
where:
Base-Base interactions energy: -119.192
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.154
local terms energy: -79.855158
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -196.153178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.153178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.153178 (E_RNA)
where:
Base-Base interactions energy: -119.142
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.024
local terms energy: -76.987848
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -193.765261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.765261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.765261 (E_RNA)
where:
Base-Base interactions energy: -125.164
where: short stacking energy: -60.607
Base-Backbone interact. energy: -0.039
local terms energy: -68.562400
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -12.942
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: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -146.880765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.880765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.880765 (E_RNA)
where:
Base-Base interactions energy: -87.259
where: short stacking energy: -31.819
Base-Backbone interact. energy: -0.345
local terms energy: -59.276519
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -116.634885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.634885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.634885 (E_RNA)
where:
Base-Base interactions energy: -63.304
where: short stacking energy: -42.260
Base-Backbone interact. energy: -0.052
local terms energy: -53.278045
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -94.654181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.654181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.654181 (E_RNA)
where:
Base-Base interactions energy: -46.201
where: short stacking energy: -43.804
Base-Backbone interact. energy: -0.093
local terms energy: -48.360118
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -8.759
flat angles C4'-P-C4' energy: -8.009
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -90.560412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.560412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.560412 (E_RNA)
where:
Base-Base interactions energy: -48.558
where: short stacking energy: -33.260
Base-Backbone interact. energy: 1.523
local terms energy: -43.524579
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -4.089
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: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -250.487649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.487649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.487649 (E_RNA)
where:
Base-Base interactions energy: -178.488
where: short stacking energy: -69.274
Base-Backbone interact. energy: 1.199
local terms energy: -73.198022
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -249.603573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.603573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.603573 (E_RNA)
where:
Base-Base interactions energy: -162.579
where: short stacking energy: -65.364
Base-Backbone interact. energy: -2.042
local terms energy: -84.982231
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -233.548223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548223 (E_RNA)
where:
Base-Base interactions energy: -168.382
where: short stacking energy: -68.955
Base-Backbone interact. energy: -0.367
local terms energy: -64.798745
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -203.011108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011108 (E_RNA)
where:
Base-Base interactions energy: -122.825
where: short stacking energy: -64.365
Base-Backbone interact. energy: -0.936
local terms energy: -79.249650
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -176.013276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.013276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.013276 (E_RNA)
where:
Base-Base interactions energy: -107.946
where: short stacking energy: -51.496
Base-Backbone interact. energy: -0.187
local terms energy: -67.879789
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -197.271569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.271569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.271569 (E_RNA)
where:
Base-Base interactions energy: -126.912
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.042
local terms energy: -70.317200
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -112.528209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.528209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.528209 (E_RNA)
where:
Base-Base interactions energy: -65.580
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.183
local terms energy: -46.764571
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -2.679
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: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -124.057998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.057998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.057998 (E_RNA)
where:
Base-Base interactions energy: -69.777
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.694
local terms energy: -53.587447
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -1.762
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: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -89.126301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.126301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.126301 (E_RNA)
where:
Base-Base interactions energy: -32.175
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.165
local terms energy: -56.786074
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -6.525
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -99.016125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.016125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.016125 (E_RNA)
where:
Base-Base interactions energy: -43.610
where: short stacking energy: -32.529
Base-Backbone interact. energy: -0.620
local terms energy: -54.786132
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -10.376
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: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -241.529779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.529779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.529779 (E_RNA)
where:
Base-Base interactions energy: -167.902
where: short stacking energy: -75.191
Base-Backbone interact. energy: -0.113
local terms energy: -73.514927
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -259.726597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.726597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.726597 (E_RNA)
where:
Base-Base interactions energy: -182.275
where: short stacking energy: -75.867
Base-Backbone interact. energy: -0.724
local terms energy: -76.727974
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -241.228868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.228868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.228868 (E_RNA)
where:
Base-Base interactions energy: -167.646
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.929
local terms energy: -72.653326
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -14.251
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: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -207.033923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.033923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.033923 (E_RNA)
where:
Base-Base interactions energy: -121.386
where: short stacking energy: -68.237
Base-Backbone interact. energy: -0.227
local terms energy: -85.420823
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -191.012166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.012166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.012166 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -58.012
Base-Backbone interact. energy: -0.033
local terms energy: -74.925763
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -176.671904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.671904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.671904 (E_RNA)
where:
Base-Base interactions energy: -106.006
where: short stacking energy: -49.825
Base-Backbone interact. energy: 0.561
local terms energy: -71.227268
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -100.721640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.721640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.721640 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -30.654
Base-Backbone interact. energy: 1.353
local terms energy: -68.787849
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -97.373849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.373849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.373849 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -33.024
Base-Backbone interact. energy: -0.159
local terms energy: -61.209445
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -80.484332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.484332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.484332 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.436
local terms energy: -46.322803
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -91.647055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.647055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.647055 (E_RNA)
where:
Base-Base interactions energy: -38.722
where: short stacking energy: -35.593
Base-Backbone interact. energy: -0.797
local terms energy: -52.128336
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -252.719156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.719156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.719156 (E_RNA)
where:
Base-Base interactions energy: -173.493
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.506
local terms energy: -78.720824
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -18.410
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: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -250.365212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.365212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.365212 (E_RNA)
where:
Base-Base interactions energy: -171.996
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.363
local terms energy: -78.006081
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -213.817715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.817715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.817715 (E_RNA)
where:
Base-Base interactions energy: -135.039
where: short stacking energy: -70.105
Base-Backbone interact. energy: -0.033
local terms energy: -78.745510
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -223.346185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.346185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.346185 (E_RNA)
where:
Base-Base interactions energy: -154.022
where: short stacking energy: -63.666
Base-Backbone interact. energy: -1.084
local terms energy: -68.240249
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -191.194754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.194754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.194754 (E_RNA)
where:
Base-Base interactions energy: -127.201
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.315
local terms energy: -63.679246
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -17.282
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: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -181.890783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.890783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.890783 (E_RNA)
where:
Base-Base interactions energy: -111.632
where: short stacking energy: -55.498
Base-Backbone interact. energy: -0.113
local terms energy: -70.145507
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -92.171017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.171017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.171017 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -30.653
Base-Backbone interact. energy: -0.199
local terms energy: -61.318906
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -7.795
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: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -84.795160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.795160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.795160 (E_RNA)
where:
Base-Base interactions energy: -33.737
where: short stacking energy: -20.668
Base-Backbone interact. energy: -0.174
local terms energy: -50.884615
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: 2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -87.883443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.883443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.883443 (E_RNA)
where:
Base-Base interactions energy: -38.340
where: short stacking energy: -24.778
Base-Backbone interact. energy: -0.188
local terms energy: -49.355113
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -4.099
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: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -80.840691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.840691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.840691 (E_RNA)
where:
Base-Base interactions energy: -25.459
where: short stacking energy: -23.097
Base-Backbone interact. energy: -0.142
local terms energy: -55.238897
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -3.452
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: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -254.422166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.422166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.422166 (E_RNA)
where:
Base-Base interactions energy: -175.990
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.109
local terms energy: -78.323394
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -254.736978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.736978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.736978 (E_RNA)
where:
Base-Base interactions energy: -180.358
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.715
local terms energy: -73.664713
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -222.817297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.817297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.817297 (E_RNA)
where:
Base-Base interactions energy: -150.170
where: short stacking energy: -62.313
Base-Backbone interact. energy: -0.947
local terms energy: -71.699785
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -14.478
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: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -222.595578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.595578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.595578 (E_RNA)
where:
Base-Base interactions energy: -149.948
where: short stacking energy: -54.951
Base-Backbone interact. energy: -0.344
local terms energy: -72.303965
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -198.054007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.054007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.054007 (E_RNA)
where:
Base-Base interactions energy: -120.363
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.341
local terms energy: -77.349792
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -176.061991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061991 (E_RNA)
where:
Base-Base interactions energy: -113.560
where: short stacking energy: -55.536
Base-Backbone interact. energy: -0.193
local terms energy: -62.309094
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -108.831935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.831935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.831935 (E_RNA)
where:
Base-Base interactions energy: -58.180
where: short stacking energy: -38.801
Base-Backbone interact. energy: -0.146
local terms energy: -50.506593
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -6.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -93.301562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.301562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.301562 (E_RNA)
where:
Base-Base interactions energy: -34.916
where: short stacking energy: -32.565
Base-Backbone interact. energy: -0.537
local terms energy: -57.848047
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -7.625
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: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -94.980776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.980776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.980776 (E_RNA)
where:
Base-Base interactions energy: -45.590
where: short stacking energy: -29.668
Base-Backbone interact. energy: 0.280
local terms energy: -49.671160
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -79.600352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.600352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.600352 (E_RNA)
where:
Base-Base interactions energy: -26.203
where: short stacking energy: -23.462
Base-Backbone interact. energy: 0.720
local terms energy: -54.116624
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -254.361794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.361794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.361794 (E_RNA)
where:
Base-Base interactions energy: -184.723
where: short stacking energy: -67.530
Base-Backbone interact. energy: 0.195
local terms energy: -69.834188
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -243.084124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.084124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.084124 (E_RNA)
where:
Base-Base interactions energy: -171.052
where: short stacking energy: -58.030
Base-Backbone interact. energy: 5.436
local terms energy: -77.468069
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -18.600
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: 268
Temperature: 1.000000
Total energy: -208.408151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.408151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.408151 (E_RNA)
where:
Base-Base interactions energy: -127.043
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.165
local terms energy: -81.199473
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -200.294187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.294187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.294187 (E_RNA)
where:
Base-Base interactions energy: -135.901
where: short stacking energy: -60.756
Base-Backbone interact. energy: -0.673
local terms energy: -63.720496
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.964
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -176.928720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.928720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.928720 (E_RNA)
where:
Base-Base interactions energy: -116.559
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.001
local terms energy: -60.369070
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -198.175232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.175232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.175232 (E_RNA)
where:
Base-Base interactions energy: -117.014
where: short stacking energy: -61.982
Base-Backbone interact. energy: -0.005
local terms energy: -81.155717
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -21.508
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: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -94.844707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.844707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.844707 (E_RNA)
where:
Base-Base interactions energy: -31.489
where: short stacking energy: -31.489
Base-Backbone interact. energy: -0.824
local terms energy: -62.531416
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -97.394043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.394043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.394043 (E_RNA)
where:
Base-Base interactions energy: -50.208
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.474
local terms energy: -46.711794
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -1.559
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: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -91.395728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.395728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.395728 (E_RNA)
where:
Base-Base interactions energy: -34.189
where: short stacking energy: -28.320
Base-Backbone interact. energy: -0.450
local terms energy: -56.756568
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -93.958285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.958285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.958285 (E_RNA)
where:
Base-Base interactions energy: -36.428
where: short stacking energy: -18.144
Base-Backbone interact. energy: -0.859
local terms energy: -56.671694
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -253.020412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.020412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.020412 (E_RNA)
where:
Base-Base interactions energy: -181.316
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.302
local terms energy: -71.401909
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -237.666370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.666370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.666370 (E_RNA)
where:
Base-Base interactions energy: -159.079
where: short stacking energy: -75.712
Base-Backbone interact. energy: -0.661
local terms energy: -77.926385
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -219.188362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.188362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.188362 (E_RNA)
where:
Base-Base interactions energy: -133.892
where: short stacking energy: -76.341
Base-Backbone interact. energy: -1.730
local terms energy: -83.566037
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -170.508114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.508114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.508114 (E_RNA)
where:
Base-Base interactions energy: -114.703
where: short stacking energy: -50.198
Base-Backbone interact. energy: 0.520
local terms energy: -56.325470
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -7.466
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -10.751
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: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -204.133114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.133114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.133114 (E_RNA)
where:
Base-Base interactions energy: -136.190
where: short stacking energy: -64.321
Base-Backbone interact. energy: -0.234
local terms energy: -67.709458
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -7.814
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: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -178.782958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.782958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.782958 (E_RNA)
where:
Base-Base interactions energy: -113.133
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.132
local terms energy: -65.518406
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -101.169570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.169570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.169570 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -35.043
Base-Backbone interact. energy: -0.018
local terms energy: -66.108773
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -108.155060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.155060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.155060 (E_RNA)
where:
Base-Base interactions energy: -48.426
where: short stacking energy: -36.077
Base-Backbone interact. energy: -0.002
local terms energy: -59.727409
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -100.799571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.799571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.799571 (E_RNA)
where:
Base-Base interactions energy: -45.251
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.117
local terms energy: -55.432001
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -87.907992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.907992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.907992 (E_RNA)
where:
Base-Base interactions energy: -37.442
where: short stacking energy: -29.495
Base-Backbone interact. energy: -0.098
local terms energy: -50.368072
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -4.679
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: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -244.018820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.018820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.018820 (E_RNA)
where:
Base-Base interactions energy: -164.985
where: short stacking energy: -65.154
Base-Backbone interact. energy: -0.916
local terms energy: -78.117173
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -249.196016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.196016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.196016 (E_RNA)
where:
Base-Base interactions energy: -174.106
where: short stacking energy: -65.132
Base-Backbone interact. energy: 1.004
local terms energy: -76.093669
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -203.353136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.353136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.353136 (E_RNA)
where:
Base-Base interactions energy: -134.269
where: short stacking energy: -62.208
Base-Backbone interact. energy: 0.599
local terms energy: -69.683565
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.732
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: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -190.549350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.549350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.549350 (E_RNA)
where:
Base-Base interactions energy: -117.786
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.526
local terms energy: -72.237359
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -170.203881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.203881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.203881 (E_RNA)
where:
Base-Base interactions energy: -95.609
where: short stacking energy: -40.047
Base-Backbone interact. energy: -1.673
local terms energy: -72.921955
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -7.816
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: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -154.374326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.374326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.374326 (E_RNA)
where:
Base-Base interactions energy: -92.403
where: short stacking energy: -43.165
Base-Backbone interact. energy: -0.235
local terms energy: -61.736182
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -8.076
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: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -97.427557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.427557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.427557 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -32.011
Base-Backbone interact. energy: -0.542
local terms energy: -62.327127
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -89.007978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.007978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.007978 (E_RNA)
where:
Base-Base interactions energy: -27.803
where: short stacking energy: -26.077
Base-Backbone interact. energy: 0.107
local terms energy: -61.311324
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -91.684487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.684487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.684487 (E_RNA)
where:
Base-Base interactions energy: -43.401
where: short stacking energy: -39.863
Base-Backbone interact. energy: -0.153
local terms energy: -48.130980
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -2.009
tors. eta vs tors. theta energy: -8.758
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: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -84.374887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.374887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.374887 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -27.678
Base-Backbone interact. energy: 0.122
local terms energy: -51.447607
where:
bonds (distance) C4'-P energy: -7.722
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -243.900764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.900764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.900764 (E_RNA)
where:
Base-Base interactions energy: -160.171
where: short stacking energy: -76.253
Base-Backbone interact. energy: -0.503
local terms energy: -83.226884
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -252.236726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.236726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.236726 (E_RNA)
where:
Base-Base interactions energy: -171.570
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.344
local terms energy: -80.322781
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -217.497593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.497593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.497593 (E_RNA)
where:
Base-Base interactions energy: -137.628
where: short stacking energy: -73.754
Base-Backbone interact. energy: 3.027
local terms energy: -82.896499
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -23.507
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: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -187.630070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.630070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.630070 (E_RNA)
where:
Base-Base interactions energy: -117.786
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.010
local terms energy: -69.834176
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -194.201565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.201565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.201565 (E_RNA)
where:
Base-Base interactions energy: -128.059
where: short stacking energy: -52.594
Base-Backbone interact. energy: -0.354
local terms energy: -65.789143
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -11.379
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: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -158.616971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.616971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.616971 (E_RNA)
where:
Base-Base interactions energy: -88.634
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.003
local terms energy: -69.980723
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -99.620908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.620908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.620908 (E_RNA)
where:
Base-Base interactions energy: -37.677
where: short stacking energy: -34.676
Base-Backbone interact. energy: 0.674
local terms energy: -62.617531
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -105.180679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.180679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.180679 (E_RNA)
where:
Base-Base interactions energy: -40.445
where: short stacking energy: -38.544
Base-Backbone interact. energy: 0.243
local terms energy: -64.978279
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -83.258136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.258136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.258136 (E_RNA)
where:
Base-Base interactions energy: -33.753
where: short stacking energy: -23.135
Base-Backbone interact. energy: -0.161
local terms energy: -49.343500
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -7.630
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -80.073403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.073403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.073403 (E_RNA)
where:
Base-Base interactions energy: -33.159
where: short stacking energy: -28.584
Base-Backbone interact. energy: -0.167
local terms energy: -46.747801
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -2.799
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: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -246.238498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.238498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.238498 (E_RNA)
where:
Base-Base interactions energy: -169.435
where: short stacking energy: -62.698
Base-Backbone interact. energy: 0.160
local terms energy: -76.963661
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -245.440054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.440054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.440054 (E_RNA)
where:
Base-Base interactions energy: -165.639
where: short stacking energy: -79.246
Base-Backbone interact. energy: 0.754
local terms energy: -80.554968
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -199.551514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.551514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.551514 (E_RNA)
where:
Base-Base interactions energy: -122.833
where: short stacking energy: -70.100
Base-Backbone interact. energy: -0.138
local terms energy: -76.580199
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -211.570692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.570692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.570692 (E_RNA)
where:
Base-Base interactions energy: -132.372
where: short stacking energy: -72.829
Base-Backbone interact. energy: -0.159
local terms energy: -79.040535
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -21.686
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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -193.014854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.014854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.014854 (E_RNA)
where:
Base-Base interactions energy: -131.159
where: short stacking energy: -55.037
Base-Backbone interact. energy: -0.429
local terms energy: -61.426850
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -12.761
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: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -149.518631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.518631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.518631 (E_RNA)
where:
Base-Base interactions energy: -90.578
where: short stacking energy: -49.290
Base-Backbone interact. energy: 0.983
local terms energy: -59.923721
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -5.534
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: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -95.022068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.022068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.022068 (E_RNA)
where:
Base-Base interactions energy: -40.924
where: short stacking energy: -38.357
Base-Backbone interact. energy: 5.900
local terms energy: -59.998454
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -102.636456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.636456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.636456 (E_RNA)
where:
Base-Base interactions energy: -40.847
where: short stacking energy: -30.356
Base-Backbone interact. energy: 0.160
local terms energy: -61.950285
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -97.161056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.161056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.161056 (E_RNA)
where:
Base-Base interactions energy: -40.593
where: short stacking energy: -30.597
Base-Backbone interact. energy: -0.053
local terms energy: -56.515179
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -90.638581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.638581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.638581 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -22.680
Base-Backbone interact. energy: -0.220
local terms energy: -58.940104
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -10.814
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: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -245.070032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.070032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.070032 (E_RNA)
where:
Base-Base interactions energy: -166.403
where: short stacking energy: -67.673
Base-Backbone interact. energy: -0.118
local terms energy: -78.549482
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -246.568470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.568470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.568470 (E_RNA)
where:
Base-Base interactions energy: -163.396
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.970
local terms energy: -82.202974
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.805
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: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -212.840351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.840351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.840351 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -67.737
Base-Backbone interact. energy: -1.231
local terms energy: -73.362236
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -10.064
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -208.401402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.401402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.401402 (E_RNA)
where:
Base-Base interactions energy: -131.568
where: short stacking energy: -62.292
Base-Backbone interact. energy: -1.757
local terms energy: -75.077127
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -194.195837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.195837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.195837 (E_RNA)
where:
Base-Base interactions energy: -120.104
where: short stacking energy: -63.889
Base-Backbone interact. energy: -0.692
local terms energy: -73.400127
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -20.286
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -147.669857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.669857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.669857 (E_RNA)
where:
Base-Base interactions energy: -79.307
where: short stacking energy: -49.789
Base-Backbone interact. energy: -2.309
local terms energy: -66.053179
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -103.178895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.178895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.178895 (E_RNA)
where:
Base-Base interactions energy: -40.104
where: short stacking energy: -40.104
Base-Backbone interact. energy: -0.120
local terms energy: -62.954308
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -104.858579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.858579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.858579 (E_RNA)
where:
Base-Base interactions energy: -41.194
where: short stacking energy: -41.194
Base-Backbone interact. energy: -0.100
local terms energy: -63.564405
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -9.616
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: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -90.690236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690236 (E_RNA)
where:
Base-Base interactions energy: -30.989
where: short stacking energy: -30.989
Base-Backbone interact. energy: -0.991
local terms energy: -58.710436
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -87.828382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828382 (E_RNA)
where:
Base-Base interactions energy: -31.922
where: short stacking energy: -31.577
Base-Backbone interact. energy: -0.521
local terms energy: -55.385383
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -245.565629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.565629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.565629 (E_RNA)
where:
Base-Base interactions energy: -161.619
where: short stacking energy: -79.400
Base-Backbone interact. energy: -1.008
local terms energy: -82.938257
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -235.980948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.980948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.980948 (E_RNA)
where:
Base-Base interactions energy: -160.117
where: short stacking energy: -66.686
Base-Backbone interact. energy: -0.079
local terms energy: -75.785749
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -229.028466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.028466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.028466 (E_RNA)
where:
Base-Base interactions energy: -161.767
where: short stacking energy: -59.693
Base-Backbone interact. energy: -1.655
local terms energy: -65.606380
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -9.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -204.907536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.907536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.907536 (E_RNA)
where:
Base-Base interactions energy: -128.292
where: short stacking energy: -66.548
Base-Backbone interact. energy: -0.169
local terms energy: -76.445974
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -18.658
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: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -187.215266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.215266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.215266 (E_RNA)
where:
Base-Base interactions energy: -119.101
where: short stacking energy: -47.273
Base-Backbone interact. energy: -0.373
local terms energy: -67.740763
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -12.916
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: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -172.316479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.316479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.316479 (E_RNA)
where:
Base-Base interactions energy: -99.712
where: short stacking energy: -54.995
Base-Backbone interact. energy: -0.902
local terms energy: -71.703180
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -10.261
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: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -95.024763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.024763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.024763 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -32.879
Base-Backbone interact. energy: -0.016
local terms energy: -62.130694
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -11.473
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: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -89.213023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.213023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.213023 (E_RNA)
where:
Base-Base interactions energy: -38.018
where: short stacking energy: -26.433
Base-Backbone interact. energy: -0.121
local terms energy: -51.074142
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -98.073272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.073272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.073272 (E_RNA)
where:
Base-Base interactions energy: -38.415
where: short stacking energy: -23.737
Base-Backbone interact. energy: -0.010
local terms energy: -59.648259
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -8.779
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: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -93.019796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.019796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.019796 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -36.166
Base-Backbone interact. energy: 0.270
local terms energy: -54.598343
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -10.224
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: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -248.914158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.914158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.914158 (E_RNA)
where:
Base-Base interactions energy: -174.305
where: short stacking energy: -82.147
Base-Backbone interact. energy: -0.254
local terms energy: -74.354866
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -22.449
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: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -245.382367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.382367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.382367 (E_RNA)
where:
Base-Base interactions energy: -164.550
where: short stacking energy: -67.032
Base-Backbone interact. energy: -0.235
local terms energy: -80.597986
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -18.233
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: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -220.947377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.947377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.947377 (E_RNA)
where:
Base-Base interactions energy: -145.767
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.238
local terms energy: -74.942266
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -14.503
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: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -212.350512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.350512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.350512 (E_RNA)
where:
Base-Base interactions energy: -127.806
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.002
local terms energy: -84.542528
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -23.600
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: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -181.676584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.676584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.676584 (E_RNA)
where:
Base-Base interactions energy: -115.285
where: short stacking energy: -51.301
Base-Backbone interact. energy: -0.077
local terms energy: -66.314855
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -161.269385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.269385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.269385 (E_RNA)
where:
Base-Base interactions energy: -94.435
where: short stacking energy: -47.838
Base-Backbone interact. energy: -0.203
local terms energy: -66.630713
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -100.996628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.996628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.996628 (E_RNA)
where:
Base-Base interactions energy: -39.680
where: short stacking energy: -33.988
Base-Backbone interact. energy: -0.094
local terms energy: -61.223057
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -95.693693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.693693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.693693 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -28.788
Base-Backbone interact. energy: -0.039
local terms energy: -52.482983
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -91.622673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.622673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.622673 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -33.181
Base-Backbone interact. energy: -0.122
local terms energy: -58.320009
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -80.780838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.780838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.780838 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -30.861
Base-Backbone interact. energy: 0.001
local terms energy: -46.508779
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -242.857352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.857352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.857352 (E_RNA)
where:
Base-Base interactions energy: -165.873
where: short stacking energy: -60.553
Base-Backbone interact. energy: -1.003
local terms energy: -75.981751
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -245.208824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.208824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.208824 (E_RNA)
where:
Base-Base interactions energy: -161.545
where: short stacking energy: -74.603
Base-Backbone interact. energy: 0.389
local terms energy: -84.053584
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -228.950020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.950020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.950020 (E_RNA)
where:
Base-Base interactions energy: -139.321
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.002
local terms energy: -89.627057
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -24.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -227.020360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.020360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.020360 (E_RNA)
where:
Base-Base interactions energy: -162.881
where: short stacking energy: -65.083
Base-Backbone interact. energy: 0.005
local terms energy: -64.144465
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.840
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: 276
Temperature: 1.100000
Total energy: -170.300705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.300705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.300705 (E_RNA)
where:
Base-Base interactions energy: -103.819
where: short stacking energy: -49.653
Base-Backbone interact. energy: -1.343
local terms energy: -65.138109
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -167.824453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.824453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.824453 (E_RNA)
where:
Base-Base interactions energy: -102.302
where: short stacking energy: -55.828
Base-Backbone interact. energy: 0.707
local terms energy: -66.228620
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -102.192869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.192869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.192869 (E_RNA)
where:
Base-Base interactions energy: -44.582
where: short stacking energy: -38.404
Base-Backbone interact. energy: 1.174
local terms energy: -58.785021
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -93.529115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.529115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.529115 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -35.036
Base-Backbone interact. energy: -0.794
local terms energy: -57.698646
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -8.342
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: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -84.983786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.983786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.983786 (E_RNA)
where:
Base-Base interactions energy: -28.017
where: short stacking energy: -24.693
Base-Backbone interact. energy: 0.794
local terms energy: -57.761010
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -92.417238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.417238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.417238 (E_RNA)
where:
Base-Base interactions energy: -44.780
where: short stacking energy: -24.490
Base-Backbone interact. energy: -0.249
local terms energy: -47.388655
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -5.589
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: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -245.075737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.075737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.075737 (E_RNA)
where:
Base-Base interactions energy: -171.160
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.300
local terms energy: -73.615862
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -227.193181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.193181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.193181 (E_RNA)
where:
Base-Base interactions energy: -147.861
where: short stacking energy: -59.180
Base-Backbone interact. energy: -0.217
local terms energy: -79.114975
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -215.595760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.595760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.595760 (E_RNA)
where:
Base-Base interactions energy: -132.959
where: short stacking energy: -71.354
Base-Backbone interact. energy: 1.321
local terms energy: -83.957906
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -207.668348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.668348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.668348 (E_RNA)
where:
Base-Base interactions energy: -128.749
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.797
local terms energy: -78.122139
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -221.900105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.900105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.900105 (E_RNA)
where:
Base-Base interactions energy: -145.044
where: short stacking energy: -66.444
Base-Backbone interact. energy: -0.313
local terms energy: -76.542711
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -169.442652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.442652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.442652 (E_RNA)
where:
Base-Base interactions energy: -98.946
where: short stacking energy: -49.731
Base-Backbone interact. energy: -0.174
local terms energy: -70.322415
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -94.037077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.037077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.037077 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.142
local terms energy: -56.512068
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -104.837903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.837903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.837903 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -40.589
Base-Backbone interact. energy: -0.271
local terms energy: -66.080515
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -91.309707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.309707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.309707 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -35.065
Base-Backbone interact. energy: 1.064
local terms energy: -51.297831
where:
bonds (distance) C4'-P energy: -7.417
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.093
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: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -81.892607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.892607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.892607 (E_RNA)
where:
Base-Base interactions energy: -31.646
where: short stacking energy: -26.452
Base-Backbone interact. energy: -0.205
local terms energy: -50.041230
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -251.663262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.663262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.663262 (E_RNA)
where:
Base-Base interactions energy: -166.823
where: short stacking energy: -73.334
Base-Backbone interact. energy: -0.423
local terms energy: -84.417550
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -235.761143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.761143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.761143 (E_RNA)
where:
Base-Base interactions energy: -160.185
where: short stacking energy: -67.318
Base-Backbone interact. energy: -0.050
local terms energy: -75.526220
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -210.330810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.330810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.330810 (E_RNA)
where:
Base-Base interactions energy: -134.420
where: short stacking energy: -72.096
Base-Backbone interact. energy: 0.521
local terms energy: -76.431490
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -206.019178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.019178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.019178 (E_RNA)
where:
Base-Base interactions energy: -125.997
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.903
local terms energy: -79.119074
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -13.963
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: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -228.674427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.674427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.674427 (E_RNA)
where:
Base-Base interactions energy: -148.878
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.419
local terms energy: -79.377785
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.483
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: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -163.759750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.759750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.759750 (E_RNA)
where:
Base-Base interactions energy: -90.435
where: short stacking energy: -49.767
Base-Backbone interact. energy: -0.229
local terms energy: -73.095645
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -11.049
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: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -105.558584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.558584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.558584 (E_RNA)
where:
Base-Base interactions energy: -52.869
where: short stacking energy: -45.613
Base-Backbone interact. energy: -0.343
local terms energy: -52.345981
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -7.180
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -90.101676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.101676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.101676 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -29.095
Base-Backbone interact. energy: -0.188
local terms energy: -60.455402
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -90.195327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.195327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.195327 (E_RNA)
where:
Base-Base interactions energy: -35.492
where: short stacking energy: -35.308
Base-Backbone interact. energy: -0.089
local terms energy: -54.614274
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -88.517362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.517362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.517362 (E_RNA)
where:
Base-Base interactions energy: -36.957
where: short stacking energy: -23.475
Base-Backbone interact. energy: -0.177
local terms energy: -51.383136
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.981
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: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -239.439513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.439513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.439513 (E_RNA)
where:
Base-Base interactions energy: -162.740
where: short stacking energy: -76.040
Base-Backbone interact. energy: -0.172
local terms energy: -76.526976
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -247.983380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.983380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.983380 (E_RNA)
where:
Base-Base interactions energy: -170.578
where: short stacking energy: -72.667
Base-Backbone interact. energy: -0.913
local terms energy: -76.492398
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -211.797912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.797912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.797912 (E_RNA)
where:
Base-Base interactions energy: -128.633
where: short stacking energy: -67.805
Base-Backbone interact. energy: -0.891
local terms energy: -82.273742
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -240.965624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.965624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.965624 (E_RNA)
where:
Base-Base interactions energy: -163.184
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.502
local terms energy: -77.280051
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -187.605720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.605720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.605720 (E_RNA)
where:
Base-Base interactions energy: -118.087
where: short stacking energy: -62.741
Base-Backbone interact. energy: 0.556
local terms energy: -70.074647
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -12.417
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -171.321260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.321260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.321260 (E_RNA)
where:
Base-Base interactions energy: -107.868
where: short stacking energy: -55.043
Base-Backbone interact. energy: -0.299
local terms energy: -63.154339
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -105.316332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.316332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.316332 (E_RNA)
where:
Base-Base interactions energy: -45.845
where: short stacking energy: -45.543
Base-Backbone interact. energy: -0.158
local terms energy: -59.314017
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -87.875046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.875046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.875046 (E_RNA)
where:
Base-Base interactions energy: -31.360
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.355
local terms energy: -56.159311
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.711
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -89.113876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.113876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.113876 (E_RNA)
where:
Base-Base interactions energy: -37.487
where: short stacking energy: -37.487
Base-Backbone interact. energy: -0.065
local terms energy: -51.561858
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -3.981
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: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -78.358811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.358811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.358811 (E_RNA)
where:
Base-Base interactions energy: -36.130
where: short stacking energy: -34.314
Base-Backbone interact. energy: 0.725
local terms energy: -42.953148
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -2.348
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: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -243.423191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.423191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.423191 (E_RNA)
where:
Base-Base interactions energy: -165.445
where: short stacking energy: -79.776
Base-Backbone interact. energy: 0.825
local terms energy: -78.803340
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -21.125
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: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -243.194706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.194706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.194706 (E_RNA)
where:
Base-Base interactions energy: -167.100
where: short stacking energy: -67.112
Base-Backbone interact. energy: -0.531
local terms energy: -75.563645
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -247.989273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.989273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.989273 (E_RNA)
where:
Base-Base interactions energy: -170.133
where: short stacking energy: -68.400
Base-Backbone interact. energy: -0.745
local terms energy: -77.111291
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -198.455792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.455792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.455792 (E_RNA)
where:
Base-Base interactions energy: -120.027
where: short stacking energy: -67.224
Base-Backbone interact. energy: -0.184
local terms energy: -78.243886
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -202.893245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.893245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.893245 (E_RNA)
where:
Base-Base interactions energy: -130.131
where: short stacking energy: -63.147
Base-Backbone interact. energy: -0.057
local terms energy: -72.704801
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -15.207
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: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -165.685903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.685903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.685903 (E_RNA)
where:
Base-Base interactions energy: -99.838
where: short stacking energy: -44.657
Base-Backbone interact. energy: 0.187
local terms energy: -66.034732
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -91.505922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.505922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.505922 (E_RNA)
where:
Base-Base interactions energy: -38.561
where: short stacking energy: -21.085
Base-Backbone interact. energy: -0.367
local terms energy: -52.578006
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: 0.383
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: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -98.593047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.593047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.593047 (E_RNA)
where:
Base-Base interactions energy: -40.398
where: short stacking energy: -40.398
Base-Backbone interact. energy: -0.015
local terms energy: -58.180351
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -12.100
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: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -98.843230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.843230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.843230 (E_RNA)
where:
Base-Base interactions energy: -38.104
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.209
local terms energy: -60.530503
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -79.046593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.046593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.046593 (E_RNA)
where:
Base-Base interactions energy: -26.437
where: short stacking energy: -26.437
Base-Backbone interact. energy: -0.756
local terms energy: -51.852971
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -243.578400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.578400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.578400 (E_RNA)
where:
Base-Base interactions energy: -159.228
where: short stacking energy: -74.533
Base-Backbone interact. energy: -0.561
local terms energy: -83.789934
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -234.292592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.292592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.292592 (E_RNA)
where:
Base-Base interactions energy: -160.418
where: short stacking energy: -66.245
Base-Backbone interact. energy: -0.130
local terms energy: -73.744020
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -14.264
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: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -239.945140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.945140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.945140 (E_RNA)
where:
Base-Base interactions energy: -165.441
where: short stacking energy: -67.495
Base-Backbone interact. energy: -1.337
local terms energy: -73.166876
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -203.149503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.149503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.149503 (E_RNA)
where:
Base-Base interactions energy: -125.189
where: short stacking energy: -69.855
Base-Backbone interact. energy: -0.633
local terms energy: -77.327338
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -9.252
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: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -198.928523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.928523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.928523 (E_RNA)
where:
Base-Base interactions energy: -124.992
where: short stacking energy: -57.351
Base-Backbone interact. energy: -1.301
local terms energy: -72.635551
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -174.961517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.961517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.961517 (E_RNA)
where:
Base-Base interactions energy: -106.551
where: short stacking energy: -55.334
Base-Backbone interact. energy: -0.021
local terms energy: -68.389742
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -109.134591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.134591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.134591 (E_RNA)
where:
Base-Base interactions energy: -45.191
where: short stacking energy: -44.724
Base-Backbone interact. energy: -0.132
local terms energy: -63.812117
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -96.361988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.361988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.361988 (E_RNA)
where:
Base-Base interactions energy: -42.183
where: short stacking energy: -42.183
Base-Backbone interact. energy: 0.052
local terms energy: -54.230962
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.665
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: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -90.240130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240130 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.531
local terms energy: -46.317750
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -5.795
flat angles P-C4'-P energy: -8.073
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: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -76.230653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.230653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.230653 (E_RNA)
where:
Base-Base interactions energy: -24.877
where: short stacking energy: -17.638
Base-Backbone interact. energy: -0.793
local terms energy: -50.560303
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -11.284
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: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -241.518347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.518347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.518347 (E_RNA)
where:
Base-Base interactions energy: -154.095
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.167
local terms energy: -87.256411
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -15.689
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: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -249.133259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.133259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.133259 (E_RNA)
where:
Base-Base interactions energy: -164.230
where: short stacking energy: -82.391
Base-Backbone interact. energy: -0.321
local terms energy: -84.581733
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -23.110
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: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -239.319622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.319622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.319622 (E_RNA)
where:
Base-Base interactions energy: -163.785
where: short stacking energy: -71.169
Base-Backbone interact. energy: 0.060
local terms energy: -75.595510
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -12.029
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: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -207.641147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.641147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.641147 (E_RNA)
where:
Base-Base interactions energy: -130.610
where: short stacking energy: -71.367
Base-Backbone interact. energy: -0.002
local terms energy: -77.029617
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -9.433
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: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -187.797651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.797651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.797651 (E_RNA)
where:
Base-Base interactions energy: -116.509
where: short stacking energy: -60.502
Base-Backbone interact. energy: -0.028
local terms energy: -71.260722
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -181.165843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.165843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.165843 (E_RNA)
where:
Base-Base interactions energy: -114.129
where: short stacking energy: -56.857
Base-Backbone interact. energy: -0.033
local terms energy: -67.004451
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -14.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -103.414018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.414018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.414018 (E_RNA)
where:
Base-Base interactions energy: -57.427
where: short stacking energy: -39.554
Base-Backbone interact. energy: -0.177
local terms energy: -45.810588
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -5.719
flat angles P-C4'-P energy: -2.491
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -94.392405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.392405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.392405 (E_RNA)
where:
Base-Base interactions energy: -36.812
where: short stacking energy: -35.359
Base-Backbone interact. energy: -0.027
local terms energy: -57.553111
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -91.159510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.159510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.159510 (E_RNA)
where:
Base-Base interactions energy: -28.596
where: short stacking energy: -27.223
Base-Backbone interact. energy: -0.276
local terms energy: -62.287092
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -79.785663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.785663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.785663 (E_RNA)
where:
Base-Base interactions energy: -27.316
where: short stacking energy: -26.165
Base-Backbone interact. energy: -0.905
local terms energy: -51.563982
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -6.905
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: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -241.293228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.293228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.293228 (E_RNA)
where:
Base-Base interactions energy: -163.238
where: short stacking energy: -72.387
Base-Backbone interact. energy: -0.403
local terms energy: -77.652544
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.355
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: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -251.220222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.220222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.220222 (E_RNA)
where:
Base-Base interactions energy: -170.322
where: short stacking energy: -72.839
Base-Backbone interact. energy: -0.747
local terms energy: -80.150521
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -246.905447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.905447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.905447 (E_RNA)
where:
Base-Base interactions energy: -166.300
where: short stacking energy: -79.560
Base-Backbone interact. energy: -0.371
local terms energy: -80.234064
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -195.561786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.561786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.561786 (E_RNA)
where:
Base-Base interactions energy: -117.419
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.018
local terms energy: -78.124866
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -196.937719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.937719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.937719 (E_RNA)
where:
Base-Base interactions energy: -121.433
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.137
local terms energy: -75.367713
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -177.500560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.500560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.500560 (E_RNA)
where:
Base-Base interactions energy: -118.149
where: short stacking energy: -57.846
Base-Backbone interact. energy: -0.081
local terms energy: -59.271230
where:
bonds (distance) C4'-P energy: -5.985
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.850
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: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -104.387041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.387041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.387041 (E_RNA)
where:
Base-Base interactions energy: -41.596
where: short stacking energy: -38.313
Base-Backbone interact. energy: -1.108
local terms energy: -61.683154
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -98.737436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.737436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.737436 (E_RNA)
where:
Base-Base interactions energy: -45.993
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.151
local terms energy: -52.593856
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -80.110561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.110561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.110561 (E_RNA)
where:
Base-Base interactions energy: -27.291
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.082
local terms energy: -52.736882
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: 1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -89.961826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.961826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.961826 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -34.042
Base-Backbone interact. energy: 3.670
local terms energy: -59.012150
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -3.101
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: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -244.007907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.007907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.007907 (E_RNA)
where:
Base-Base interactions energy: -165.324
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.366
local terms energy: -78.317337
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -233.316511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.316511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.316511 (E_RNA)
where:
Base-Base interactions energy: -153.534
where: short stacking energy: -64.663
Base-Backbone interact. energy: 0.690
local terms energy: -80.471746
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -231.447806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.447806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.447806 (E_RNA)
where:
Base-Base interactions energy: -151.709
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.254
local terms energy: -79.485024
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -12.190
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: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -192.238638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.238638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.238638 (E_RNA)
where:
Base-Base interactions energy: -109.671
where: short stacking energy: -65.092
Base-Backbone interact. energy: -1.923
local terms energy: -80.645225
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -19.234
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: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -189.610047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.610047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.610047 (E_RNA)
where:
Base-Base interactions energy: -113.541
where: short stacking energy: -52.347
Base-Backbone interact. energy: -0.003
local terms energy: -76.065505
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -170.408303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.408303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.408303 (E_RNA)
where:
Base-Base interactions energy: -94.630
where: short stacking energy: -43.374
Base-Backbone interact. energy: -0.028
local terms energy: -75.750120
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -12.086
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: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -98.895310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.895310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.895310 (E_RNA)
where:
Base-Base interactions energy: -35.659
where: short stacking energy: -35.659
Base-Backbone interact. energy: 0.676
local terms energy: -63.911698
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -10.702
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: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -94.713113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.713113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.713113 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -30.311
Base-Backbone interact. energy: -0.420
local terms energy: -58.637604
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -94.351624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.351624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.351624 (E_RNA)
where:
Base-Base interactions energy: -38.708
where: short stacking energy: -25.533
Base-Backbone interact. energy: 1.222
local terms energy: -56.865423
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -6.453
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: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -81.060117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.060117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.060117 (E_RNA)
where:
Base-Base interactions energy: -24.769
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.187
local terms energy: -56.104705
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -236.321000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.321000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.321000 (E_RNA)
where:
Base-Base interactions energy: -167.395
where: short stacking energy: -66.544
Base-Backbone interact. energy: -0.611
local terms energy: -68.314609
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -9.353
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: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -238.428500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.428500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.428500 (E_RNA)
where:
Base-Base interactions energy: -164.605
where: short stacking energy: -68.258
Base-Backbone interact. energy: 2.597
local terms energy: -76.419992
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -234.836686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.836686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.836686 (E_RNA)
where:
Base-Base interactions energy: -166.224
where: short stacking energy: -64.701
Base-Backbone interact. energy: -0.155
local terms energy: -68.458167
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -194.182613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.182613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.182613 (E_RNA)
where:
Base-Base interactions energy: -121.247
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.170
local terms energy: -72.765724
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -191.257026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.257026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.257026 (E_RNA)
where:
Base-Base interactions energy: -131.925
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.064
local terms energy: -59.268066
where:
bonds (distance) C4'-P energy: -2.127
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -164.827561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.827561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.827561 (E_RNA)
where:
Base-Base interactions energy: -99.663
where: short stacking energy: -44.847
Base-Backbone interact. energy: -0.972
local terms energy: -64.192133
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -5.690
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: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -95.739718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.739718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.739718 (E_RNA)
where:
Base-Base interactions energy: -36.262
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.131
local terms energy: -59.347423
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -9.306
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: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -93.160501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.160501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.160501 (E_RNA)
where:
Base-Base interactions energy: -42.515
where: short stacking energy: -39.815
Base-Backbone interact. energy: -0.076
local terms energy: -50.569974
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -5.504
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: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -90.639670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639670 (E_RNA)
where:
Base-Base interactions energy: -32.453
where: short stacking energy: -28.147
Base-Backbone interact. energy: -0.218
local terms energy: -57.968765
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -79.740219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.740219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.740219 (E_RNA)
where:
Base-Base interactions energy: -19.412
where: short stacking energy: -19.412
Base-Backbone interact. energy: -0.063
local terms energy: -60.264816
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -246.141187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.141187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.141187 (E_RNA)
where:
Base-Base interactions energy: -174.976
where: short stacking energy: -65.866
Base-Backbone interact. energy: -1.154
local terms energy: -70.011135
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -12.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -240.545319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.545319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.545319 (E_RNA)
where:
Base-Base interactions energy: -162.195
where: short stacking energy: -71.860
Base-Backbone interact. energy: -0.387
local terms energy: -77.962799
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -13.819
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: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -238.867167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.867167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.867167 (E_RNA)
where:
Base-Base interactions energy: -161.084
where: short stacking energy: -68.332
Base-Backbone interact. energy: -0.395
local terms energy: -77.387685
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -14.758
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: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -211.224617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.224617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.224617 (E_RNA)
where:
Base-Base interactions energy: -123.408
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.344
local terms energy: -87.472506
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -177.963392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.963392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.963392 (E_RNA)
where:
Base-Base interactions energy: -109.535
where: short stacking energy: -51.549
Base-Backbone interact. energy: -0.097
local terms energy: -68.331141
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -184.205449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.205449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.205449 (E_RNA)
where:
Base-Base interactions energy: -119.188
where: short stacking energy: -59.987
Base-Backbone interact. energy: -0.081
local terms energy: -64.936837
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -109.349622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.349622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.349622 (E_RNA)
where:
Base-Base interactions energy: -46.459
where: short stacking energy: -39.567
Base-Backbone interact. energy: -0.509
local terms energy: -62.381226
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -101.072671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.072671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.072671 (E_RNA)
where:
Base-Base interactions energy: -42.486
where: short stacking energy: -41.334
Base-Backbone interact. energy: -0.202
local terms energy: -58.384571
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -85.004301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.004301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.004301 (E_RNA)
where:
Base-Base interactions energy: -25.298
where: short stacking energy: -20.566
Base-Backbone interact. energy: -0.323
local terms energy: -59.382459
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -11.527
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: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -77.682240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.682240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.682240 (E_RNA)
where:
Base-Base interactions energy: -24.365
where: short stacking energy: -21.261
Base-Backbone interact. energy: -0.217
local terms energy: -53.100434
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: 1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -255.218651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.218651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.218651 (E_RNA)
where:
Base-Base interactions energy: -175.936
where: short stacking energy: -64.694
Base-Backbone interact. energy: 0.413
local terms energy: -79.696252
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -240.765383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.765383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.765383 (E_RNA)
where:
Base-Base interactions energy: -170.310
where: short stacking energy: -73.145
Base-Backbone interact. energy: 1.050
local terms energy: -71.504675
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -232.193440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.193440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.193440 (E_RNA)
where:
Base-Base interactions energy: -156.331
where: short stacking energy: -65.382
Base-Backbone interact. energy: -1.836
local terms energy: -74.025936
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -204.374765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.374765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.374765 (E_RNA)
where:
Base-Base interactions energy: -120.256
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.575
local terms energy: -83.543619
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -184.490829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.490829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490829 (E_RNA)
where:
Base-Base interactions energy: -104.202
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.463
local terms energy: -79.825501
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -183.969214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.969214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.969214 (E_RNA)
where:
Base-Base interactions energy: -111.057
where: short stacking energy: -54.705
Base-Backbone interact. energy: -0.061
local terms energy: -72.851258
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -90.655150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.655150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.655150 (E_RNA)
where:
Base-Base interactions energy: -31.399
where: short stacking energy: -30.703
Base-Backbone interact. energy: -0.124
local terms energy: -59.131867
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -10.030
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: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -106.096603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.096603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.096603 (E_RNA)
where:
Base-Base interactions energy: -41.374
where: short stacking energy: -41.374
Base-Backbone interact. energy: -0.050
local terms energy: -64.672434
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -89.094192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.094192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.094192 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -41.578
Base-Backbone interact. energy: -0.019
local terms energy: -47.497330
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -2.642
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -77.111841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.111841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.111841 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -23.489
Base-Backbone interact. energy: -0.155
local terms energy: -48.914512
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -246.944188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.944188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.944188 (E_RNA)
where:
Base-Base interactions energy: -173.822
where: short stacking energy: -66.741
Base-Backbone interact. energy: -1.020
local terms energy: -72.102293
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -243.826823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.826823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.826823 (E_RNA)
where:
Base-Base interactions energy: -172.787
where: short stacking energy: -73.626
Base-Backbone interact. energy: -0.154
local terms energy: -70.885161
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -214.630485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.630485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.630485 (E_RNA)
where:
Base-Base interactions energy: -136.662
where: short stacking energy: -74.025
Base-Backbone interact. energy: -0.024
local terms energy: -77.944074
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -222.957787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.957787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.957787 (E_RNA)
where:
Base-Base interactions energy: -145.491
where: short stacking energy: -62.163
Base-Backbone interact. energy: -0.167
local terms energy: -77.300434
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -183.217609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.217609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.217609 (E_RNA)
where:
Base-Base interactions energy: -111.934
where: short stacking energy: -65.918
Base-Backbone interact. energy: 0.071
local terms energy: -71.354423
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -4.063
tors. eta vs tors. theta energy: -20.207
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: 288
Temperature: 1.150000
Total energy: -193.889768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.889768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.889768 (E_RNA)
where:
Base-Base interactions energy: -118.000
where: short stacking energy: -57.414
Base-Backbone interact. energy: -0.112
local terms energy: -75.777439
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -99.920681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.920681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.920681 (E_RNA)
where:
Base-Base interactions energy: -41.689
where: short stacking energy: -39.183
Base-Backbone interact. energy: -0.692
local terms energy: -57.539557
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -85.468928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.468928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.468928 (E_RNA)
where:
Base-Base interactions energy: -38.928
where: short stacking energy: -36.918
Base-Backbone interact. energy: -0.167
local terms energy: -46.374381
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: 1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -98.427969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.427969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.427969 (E_RNA)
where:
Base-Base interactions energy: -43.439
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.161
local terms energy: -54.827753
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -79.724018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.724018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.724018 (E_RNA)
where:
Base-Base interactions energy: -29.434
where: short stacking energy: -21.641
Base-Backbone interact. energy: -0.457
local terms energy: -49.833080
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -243.331456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.331456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.331456 (E_RNA)
where:
Base-Base interactions energy: -173.725
where: short stacking energy: -67.381
Base-Backbone interact. energy: -0.111
local terms energy: -69.495489
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -226.326550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.326550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.326550 (E_RNA)
where:
Base-Base interactions energy: -151.709
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.227
local terms energy: -74.390955
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -13.145
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: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -184.918903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.918903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.918903 (E_RNA)
where:
Base-Base interactions energy: -124.782
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.080
local terms energy: -60.057728
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.911
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: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -232.729829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.729829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.729829 (E_RNA)
where:
Base-Base interactions energy: -154.522
where: short stacking energy: -64.925
Base-Backbone interact. energy: -0.074
local terms energy: -78.134296
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -16.212
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: 289
Temperature: 1.100000
Total energy: -209.056898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.056898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.056898 (E_RNA)
where:
Base-Base interactions energy: -131.883
where: short stacking energy: -74.053
Base-Backbone interact. energy: -0.282
local terms energy: -76.892241
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -119.963353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.963353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.963353 (E_RNA)
where:
Base-Base interactions energy: -60.346
where: short stacking energy: -41.641
Base-Backbone interact. energy: 1.162
local terms energy: -60.779065
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -9.667
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: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -183.282663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.282663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.282663 (E_RNA)
where:
Base-Base interactions energy: -115.245
where: short stacking energy: -49.850
Base-Backbone interact. energy: -2.510
local terms energy: -65.527559
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -88.959328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.959328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.959328 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.082
local terms energy: -57.130949
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -83.983678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.983678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.983678 (E_RNA)
where:
Base-Base interactions energy: -40.340
where: short stacking energy: -27.691
Base-Backbone interact. energy: -0.211
local terms energy: -43.432207
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 4.401
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: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -85.897491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.897491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.897491 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -40.076
Base-Backbone interact. energy: 1.216
local terms energy: -45.419777
where:
bonds (distance) C4'-P energy: -7.961
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -3.265
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -243.337199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.337199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.337199 (E_RNA)
where:
Base-Base interactions energy: -166.396
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.802
local terms energy: -76.138970
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -227.550878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.550878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.550878 (E_RNA)
where:
Base-Base interactions energy: -163.623
where: short stacking energy: -60.948
Base-Backbone interact. energy: 0.123
local terms energy: -64.051268
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -243.646156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.646156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.646156 (E_RNA)
where:
Base-Base interactions energy: -166.599
where: short stacking energy: -68.810
Base-Backbone interact. energy: 0.231
local terms energy: -77.277926
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -186.546902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.546902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.546902 (E_RNA)
where:
Base-Base interactions energy: -113.361
where: short stacking energy: -59.987
Base-Backbone interact. energy: -0.165
local terms energy: -73.020841
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -201.272951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.272951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.272951 (E_RNA)
where:
Base-Base interactions energy: -124.804
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.157
local terms energy: -76.312729
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -103.792093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.792093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.792093 (E_RNA)
where:
Base-Base interactions energy: -50.168
where: short stacking energy: -37.347
Base-Backbone interact. energy: 5.861
local terms energy: -59.485431
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -169.942050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.942050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.942050 (E_RNA)
where:
Base-Base interactions energy: -109.825
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.104
local terms energy: -60.013876
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -94.853738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.853738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.853738 (E_RNA)
where:
Base-Base interactions energy: -36.088
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.133
local terms energy: -58.632581
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -85.441996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.441996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.441996 (E_RNA)
where:
Base-Base interactions energy: -36.596
where: short stacking energy: -36.596
Base-Backbone interact. energy: 0.375
local terms energy: -49.220455
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -7.155
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: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -75.274294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.274294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.274294 (E_RNA)
where:
Base-Base interactions energy: -28.838
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.048
local terms energy: -46.388458
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: 2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -239.846057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.846057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.846057 (E_RNA)
where:
Base-Base interactions energy: -169.331
where: short stacking energy: -68.363
Base-Backbone interact. energy: -0.541
local terms energy: -69.974019
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -242.369345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.369345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.369345 (E_RNA)
where:
Base-Base interactions energy: -167.129
where: short stacking energy: -68.507
Base-Backbone interact. energy: -0.081
local terms energy: -75.159347
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -237.889828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.889828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.889828 (E_RNA)
where:
Base-Base interactions energy: -152.352
where: short stacking energy: -60.383
Base-Backbone interact. energy: 0.170
local terms energy: -85.708308
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -13.810
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: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -203.719410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.719410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.719410 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -58.418
Base-Backbone interact. energy: 0.087
local terms energy: -81.358300
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -207.561212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.561212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.561212 (E_RNA)
where:
Base-Base interactions energy: -129.753
where: short stacking energy: -69.915
Base-Backbone interact. energy: -1.030
local terms energy: -76.778381
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -138.547957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.547957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.547957 (E_RNA)
where:
Base-Base interactions energy: -78.110
where: short stacking energy: -38.696
Base-Backbone interact. energy: -0.137
local terms energy: -60.301240
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -97.372726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.372726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.372726 (E_RNA)
where:
Base-Base interactions energy: -42.236
where: short stacking energy: -41.690
Base-Backbone interact. energy: -0.259
local terms energy: -54.877912
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -7.088
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: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -97.836787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.836787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.836787 (E_RNA)
where:
Base-Base interactions energy: -40.142
where: short stacking energy: -34.408
Base-Backbone interact. energy: -0.189
local terms energy: -57.505557
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.838
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: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -93.795968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795968 (E_RNA)
where:
Base-Base interactions energy: -31.461
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.091
local terms energy: -62.243920
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -86.060240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.060240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.060240 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -30.306
Base-Backbone interact. energy: 1.604
local terms energy: -51.832541
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -248.134262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.134262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.134262 (E_RNA)
where:
Base-Base interactions energy: -160.327
where: short stacking energy: -67.009
Base-Backbone interact. energy: -0.336
local terms energy: -87.471114
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -244.245441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.245441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.245441 (E_RNA)
where:
Base-Base interactions energy: -165.074
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.639
local terms energy: -78.532647
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -13.711
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: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -222.790341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.790341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.790341 (E_RNA)
where:
Base-Base interactions energy: -153.332
where: short stacking energy: -68.888
Base-Backbone interact. energy: -0.137
local terms energy: -69.320907
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -193.380595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.380595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.380595 (E_RNA)
where:
Base-Base interactions energy: -121.483
where: short stacking energy: -57.181
Base-Backbone interact. energy: -0.418
local terms energy: -71.479548
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -202.344508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.344508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.344508 (E_RNA)
where:
Base-Base interactions energy: -124.848
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.682
local terms energy: -76.814336
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -128.877992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.877992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.877992 (E_RNA)
where:
Base-Base interactions energy: -71.231
where: short stacking energy: -44.098
Base-Backbone interact. energy: -0.398
local terms energy: -57.249061
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -99.880833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.880833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.880833 (E_RNA)
where:
Base-Base interactions energy: -45.290
where: short stacking energy: -45.290
Base-Backbone interact. energy: -1.055
local terms energy: -53.535520
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -99.327594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.327594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.327594 (E_RNA)
where:
Base-Base interactions energy: -41.043
where: short stacking energy: -29.125
Base-Backbone interact. energy: -0.168
local terms energy: -58.116420
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -84.505836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.505836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.505836 (E_RNA)
where:
Base-Base interactions energy: -31.364
where: short stacking energy: -31.364
Base-Backbone interact. energy: 0.360
local terms energy: -53.501155
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -127.570071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.570071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.570071 (E_RNA)
where:
Base-Base interactions energy: -67.087
where: short stacking energy: -31.914
Base-Backbone interact. energy: 0.129
local terms energy: -60.612505
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -241.571466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.571466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.571466 (E_RNA)
where:
Base-Base interactions energy: -161.357
where: short stacking energy: -77.053
Base-Backbone interact. energy: -0.583
local terms energy: -79.631591
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -243.160130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.160130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.160130 (E_RNA)
where:
Base-Base interactions energy: -168.991
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.252
local terms energy: -73.917706
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -231.314771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.314771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.314771 (E_RNA)
where:
Base-Base interactions energy: -161.908
where: short stacking energy: -66.780
Base-Backbone interact. energy: -0.798
local terms energy: -68.608958
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -198.196790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.196790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.196790 (E_RNA)
where:
Base-Base interactions energy: -127.119
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.688
local terms energy: -70.389993
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -7.431
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: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -169.070648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.070648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.070648 (E_RNA)
where:
Base-Base interactions energy: -106.270
where: short stacking energy: -43.195
Base-Backbone interact. energy: -0.684
local terms energy: -62.116982
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -6.565
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: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -104.082468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.082468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.082468 (E_RNA)
where:
Base-Base interactions energy: -41.536
where: short stacking energy: -41.536
Base-Backbone interact. energy: -0.091
local terms energy: -62.455872
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -93.387934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.387934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.387934 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -37.466
Base-Backbone interact. energy: -0.376
local terms energy: -55.475768
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -98.707861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.707861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.707861 (E_RNA)
where:
Base-Base interactions energy: -44.030
where: short stacking energy: -41.133
Base-Backbone interact. energy: -0.286
local terms energy: -54.391248
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -89.130449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.130449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.130449 (E_RNA)
where:
Base-Base interactions energy: -44.129
where: short stacking energy: -37.185
Base-Backbone interact. energy: -0.566
local terms energy: -44.435714
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -4.040
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: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -93.969985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.969985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.969985 (E_RNA)
where:
Base-Base interactions energy: -42.352
where: short stacking energy: -15.214
Base-Backbone interact. energy: -0.463
local terms energy: -51.154558
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -243.934552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.934552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.934552 (E_RNA)
where:
Base-Base interactions energy: -163.655
where: short stacking energy: -62.161
Base-Backbone interact. energy: 0.018
local terms energy: -80.297540
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -235.742531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.742531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.742531 (E_RNA)
where:
Base-Base interactions energy: -164.467
where: short stacking energy: -75.597
Base-Backbone interact. energy: -0.119
local terms energy: -71.156198
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -237.917078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.917078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.917078 (E_RNA)
where:
Base-Base interactions energy: -162.454
where: short stacking energy: -60.637
Base-Backbone interact. energy: -0.966
local terms energy: -74.496927
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -200.461896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.461896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.461896 (E_RNA)
where:
Base-Base interactions energy: -135.233
where: short stacking energy: -50.261
Base-Backbone interact. energy: -0.533
local terms energy: -64.696371
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -176.174162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.174162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.174162 (E_RNA)
where:
Base-Base interactions energy: -110.397
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.012
local terms energy: -65.765543
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -106.543376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.543376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.543376 (E_RNA)
where:
Base-Base interactions energy: -52.154
where: short stacking energy: -48.370
Base-Backbone interact. energy: -0.080
local terms energy: -54.309262
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -5.533
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -94.878362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.878362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.878362 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -33.755
Base-Backbone interact. energy: -0.048
local terms energy: -56.802371
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -85.893701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.893701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.893701 (E_RNA)
where:
Base-Base interactions energy: -32.231
where: short stacking energy: -23.427
Base-Backbone interact. energy: -0.095
local terms energy: -53.567749
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -80.427220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.427220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.427220 (E_RNA)
where:
Base-Base interactions energy: -35.280
where: short stacking energy: -28.806
Base-Backbone interact. energy: -0.183
local terms energy: -44.964172
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -92.358956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.358956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.358956 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -32.672
Base-Backbone interact. energy: -0.036
local terms energy: -49.749467
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -240.983138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.983138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.983138 (E_RNA)
where:
Base-Base interactions energy: -179.520
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.271
local terms energy: -61.191382
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -239.483704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.483704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.483704 (E_RNA)
where:
Base-Base interactions energy: -168.531
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.585
local terms energy: -70.367938
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -13.979
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: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -234.562644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.562644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.562644 (E_RNA)
where:
Base-Base interactions energy: -164.351
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.102
local terms energy: -70.109254
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -209.793448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.793448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.793448 (E_RNA)
where:
Base-Base interactions energy: -133.922
where: short stacking energy: -69.978
Base-Backbone interact. energy: -1.476
local terms energy: -74.394901
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -175.391588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.391588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.391588 (E_RNA)
where:
Base-Base interactions energy: -112.196
where: short stacking energy: -38.274
Base-Backbone interact. energy: -0.682
local terms energy: -62.513367
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -12.118
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: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -104.477377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.477377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.477377 (E_RNA)
where:
Base-Base interactions energy: -36.844
where: short stacking energy: -27.827
Base-Backbone interact. energy: -0.279
local terms energy: -67.353898
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -5.981
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -92.927724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.927724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.927724 (E_RNA)
where:
Base-Base interactions energy: -27.894
where: short stacking energy: -20.914
Base-Backbone interact. energy: -0.126
local terms energy: -64.907821
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -94.771737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.771737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.771737 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -29.385
Base-Backbone interact. energy: -0.266
local terms energy: -52.926226
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.120
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: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -98.560072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.560072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.560072 (E_RNA)
where:
Base-Base interactions energy: -48.296
where: short stacking energy: -38.822
Base-Backbone interact. energy: -0.499
local terms energy: -49.765683
where:
bonds (distance) C4'-P energy: -6.991
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -1.026
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -76.518735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.518735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.518735 (E_RNA)
where:
Base-Base interactions energy: -26.105
where: short stacking energy: -22.017
Base-Backbone interact. energy: 1.500
local terms energy: -51.913291
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -7.322
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: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -252.307558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.307558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.307558 (E_RNA)
where:
Base-Base interactions energy: -178.443
where: short stacking energy: -65.155
Base-Backbone interact. energy: -0.750
local terms energy: -73.114404
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -246.912807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.912807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.912807 (E_RNA)
where:
Base-Base interactions energy: -171.796
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.309
local terms energy: -74.807835
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -229.913979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.913979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.913979 (E_RNA)
where:
Base-Base interactions energy: -158.756
where: short stacking energy: -69.534
Base-Backbone interact. energy: -0.102
local terms energy: -71.056024
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -209.817282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.817282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.817282 (E_RNA)
where:
Base-Base interactions energy: -128.045
where: short stacking energy: -72.728
Base-Backbone interact. energy: -0.012
local terms energy: -81.759590
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -173.991586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.991586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.991586 (E_RNA)
where:
Base-Base interactions energy: -105.171
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.797
local terms energy: -68.023441
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -100.459373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.459373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.459373 (E_RNA)
where:
Base-Base interactions energy: -43.146
where: short stacking energy: -43.146
Base-Backbone interact. energy: 0.011
local terms energy: -57.324270
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -8.489
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -93.241883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.241883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.241883 (E_RNA)
where:
Base-Base interactions energy: -44.676
where: short stacking energy: -40.737
Base-Backbone interact. energy: -0.154
local terms energy: -48.411701
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -96.742049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.742049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.742049 (E_RNA)
where:
Base-Base interactions energy: -46.732
where: short stacking energy: -36.048
Base-Backbone interact. energy: 1.224
local terms energy: -51.234107
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -110.389870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.389870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.389870 (E_RNA)
where:
Base-Base interactions energy: -47.847
where: short stacking energy: -31.265
Base-Backbone interact. energy: -0.645
local terms energy: -61.897598
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -93.217438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.217438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.217438 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -27.512
Base-Backbone interact. energy: -0.100
local terms energy: -61.966593
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -8.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -251.391772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.391772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.391772 (E_RNA)
where:
Base-Base interactions energy: -177.556
where: short stacking energy: -67.919
Base-Backbone interact. energy: -1.274
local terms energy: -72.561765
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -241.542577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.542577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.542577 (E_RNA)
where:
Base-Base interactions energy: -169.772
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.133
local terms energy: -71.638231
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -8.936
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: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -238.225661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.225661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.225661 (E_RNA)
where:
Base-Base interactions energy: -157.433
where: short stacking energy: -69.281
Base-Backbone interact. energy: -1.224
local terms energy: -79.568660
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -18.561
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: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -199.134405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.134405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.134405 (E_RNA)
where:
Base-Base interactions energy: -119.387
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.054
local terms energy: -79.693480
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -198.284703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.284703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.284703 (E_RNA)
where:
Base-Base interactions energy: -129.532
where: short stacking energy: -59.470
Base-Backbone interact. energy: -0.982
local terms energy: -67.771316
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -14.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -107.541724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.541724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.541724 (E_RNA)
where:
Base-Base interactions energy: -50.947
where: short stacking energy: -32.597
Base-Backbone interact. energy: 0.554
local terms energy: -57.148653
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -116.223012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.223012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.223012 (E_RNA)
where:
Base-Base interactions energy: -52.073
where: short stacking energy: -41.573
Base-Backbone interact. energy: -0.092
local terms energy: -64.057959
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -93.110982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.110982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.110982 (E_RNA)
where:
Base-Base interactions energy: -44.588
where: short stacking energy: -28.928
Base-Backbone interact. energy: 1.370
local terms energy: -49.893425
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -89.446785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.446785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.446785 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -36.023
Base-Backbone interact. energy: -0.124
local terms energy: -52.088085
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -3.459
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: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -74.493429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.493429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.493429 (E_RNA)
where:
Base-Base interactions energy: -25.532
where: short stacking energy: -23.961
Base-Backbone interact. energy: -0.180
local terms energy: -48.781788
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: 1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -247.531963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.531963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.531963 (E_RNA)
where:
Base-Base interactions energy: -172.945
where: short stacking energy: -61.264
Base-Backbone interact. energy: -1.396
local terms energy: -73.190963
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -244.458532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.458532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.458532 (E_RNA)
where:
Base-Base interactions energy: -166.995
where: short stacking energy: -71.900
Base-Backbone interact. energy: -0.768
local terms energy: -76.695745
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -204.824466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.824466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.824466 (E_RNA)
where:
Base-Base interactions energy: -129.168
where: short stacking energy: -67.433
Base-Backbone interact. energy: -0.007
local terms energy: -75.650119
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -228.638009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.638009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.638009 (E_RNA)
where:
Base-Base interactions energy: -150.898
where: short stacking energy: -73.386
Base-Backbone interact. energy: -0.191
local terms energy: -77.549024
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -21.473
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: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -176.109411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.109411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.109411 (E_RNA)
where:
Base-Base interactions energy: -98.860
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.060
local terms energy: -77.189066
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -16.881
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: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -112.301536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.301536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.301536 (E_RNA)
where:
Base-Base interactions energy: -53.246
where: short stacking energy: -45.899
Base-Backbone interact. energy: -0.593
local terms energy: -58.462177
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -6.421
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: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -117.767059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.767059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.767059 (E_RNA)
where:
Base-Base interactions energy: -64.291
where: short stacking energy: -49.638
Base-Backbone interact. energy: 7.285
local terms energy: -60.760460
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -111.345380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.345380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.345380 (E_RNA)
where:
Base-Base interactions energy: -48.057
where: short stacking energy: -44.991
Base-Backbone interact. energy: 2.575
local terms energy: -65.863811
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -8.584
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: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -96.115511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.115511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.115511 (E_RNA)
where:
Base-Base interactions energy: -39.945
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.030
local terms energy: -56.140073
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -5.617
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: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -79.218388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218388 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -19.706
Base-Backbone interact. energy: -0.833
local terms energy: -48.198167
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: 1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -249.795207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.795207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.795207 (E_RNA)
where:
Base-Base interactions energy: -169.292
where: short stacking energy: -77.087
Base-Backbone interact. energy: -0.157
local terms energy: -80.346574
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -246.393500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.393500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.393500 (E_RNA)
where:
Base-Base interactions energy: -173.311
where: short stacking energy: -71.478
Base-Backbone interact. energy: -1.184
local terms energy: -71.899119
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -12.220
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: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -205.778328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.778328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.778328 (E_RNA)
where:
Base-Base interactions energy: -120.564
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.006
local terms energy: -85.208920
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -224.825043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.825043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.825043 (E_RNA)
where:
Base-Base interactions energy: -149.561
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.184
local terms energy: -75.079510
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -171.793847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.793847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.793847 (E_RNA)
where:
Base-Base interactions energy: -104.418
where: short stacking energy: -47.816
Base-Backbone interact. energy: 0.800
local terms energy: -68.175832
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -11.625
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: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -155.177830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.177830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.177830 (E_RNA)
where:
Base-Base interactions energy: -92.033
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.117
local terms energy: -63.027976
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -99.440307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.440307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.440307 (E_RNA)
where:
Base-Base interactions energy: -45.825
where: short stacking energy: -40.704
Base-Backbone interact. energy: -0.039
local terms energy: -53.576311
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -105.101707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.101707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.101707 (E_RNA)
where:
Base-Base interactions energy: -46.170
where: short stacking energy: -46.170
Base-Backbone interact. energy: -0.103
local terms energy: -58.829191
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -78.127814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.127814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.127814 (E_RNA)
where:
Base-Base interactions energy: -27.961
where: short stacking energy: -21.463
Base-Backbone interact. energy: -0.407
local terms energy: -49.759865
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: 0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -76.768718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.768718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.768718 (E_RNA)
where:
Base-Base interactions energy: -23.190
where: short stacking energy: -23.190
Base-Backbone interact. energy: -1.303
local terms energy: -52.275598
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -4.513
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: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -247.298712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.298712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.298712 (E_RNA)
where:
Base-Base interactions energy: -170.501
where: short stacking energy: -76.853
Base-Backbone interact. energy: -0.353
local terms energy: -76.445032
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -239.443137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.443137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.443137 (E_RNA)
where:
Base-Base interactions energy: -165.115
where: short stacking energy: -56.228
Base-Backbone interact. energy: -1.605
local terms energy: -72.723828
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -233.705639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.705639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.705639 (E_RNA)
where:
Base-Base interactions energy: -151.640
where: short stacking energy: -72.760
Base-Backbone interact. energy: -0.210
local terms energy: -81.856431
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -188.408839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.408839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.408839 (E_RNA)
where:
Base-Base interactions energy: -118.261
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.285
local terms energy: -69.862708
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -10.524
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: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -186.339830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.339830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.339830 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -58.948
Base-Backbone interact. energy: -0.735
local terms energy: -63.573291
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -156.102794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.102794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.102794 (E_RNA)
where:
Base-Base interactions energy: -98.988
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.860
local terms energy: -56.255544
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -100.649788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.649788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.649788 (E_RNA)
where:
Base-Base interactions energy: -45.346
where: short stacking energy: -43.432
Base-Backbone interact. energy: 2.001
local terms energy: -57.305054
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -106.502104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.502104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.502104 (E_RNA)
where:
Base-Base interactions energy: -58.371
where: short stacking energy: -42.651
Base-Backbone interact. energy: -0.130
local terms energy: -48.000587
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.871
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: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -90.385624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.385624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.385624 (E_RNA)
where:
Base-Base interactions energy: -44.211
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.060
local terms energy: -46.113914
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -9.369
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -86.124937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.124937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.124937 (E_RNA)
where:
Base-Base interactions energy: -34.383
where: short stacking energy: -26.528
Base-Backbone interact. energy: -0.209
local terms energy: -51.532587
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: 3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -247.384553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.384553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.384553 (E_RNA)
where:
Base-Base interactions energy: -168.175
where: short stacking energy: -79.589
Base-Backbone interact. energy: -1.222
local terms energy: -77.988235
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -240.668079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.668079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668079 (E_RNA)
where:
Base-Base interactions energy: -169.314
where: short stacking energy: -68.930
Base-Backbone interact. energy: -1.649
local terms energy: -69.704226
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -242.913324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.913324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.913324 (E_RNA)
where:
Base-Base interactions energy: -161.742
where: short stacking energy: -71.492
Base-Backbone interact. energy: -0.299
local terms energy: -80.872157
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -175.334903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.334903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.334903 (E_RNA)
where:
Base-Base interactions energy: -110.019
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.200
local terms energy: -65.116147
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -173.493004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.493004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.493004 (E_RNA)
where:
Base-Base interactions energy: -117.601
where: short stacking energy: -62.543
Base-Backbone interact. energy: 0.389
local terms energy: -56.280787
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -7.228
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -176.601472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.601472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.601472 (E_RNA)
where:
Base-Base interactions energy: -108.452
where: short stacking energy: -50.350
Base-Backbone interact. energy: 0.419
local terms energy: -68.568402
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -9.874
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: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -106.480673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.480673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.480673 (E_RNA)
where:
Base-Base interactions energy: -47.997
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.362
local terms energy: -58.121930
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -9.149
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -90.057652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.057652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.057652 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -26.811
Base-Backbone interact. energy: -0.288
local terms energy: -55.354337
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -88.379566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.379566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.379566 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -27.499
Base-Backbone interact. energy: 0.968
local terms energy: -54.677971
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -78.906794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.906794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.906794 (E_RNA)
where:
Base-Base interactions energy: -21.759
where: short stacking energy: -21.432
Base-Backbone interact. energy: -0.083
local terms energy: -57.064673
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.045
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: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -253.245022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.245022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.245022 (E_RNA)
where:
Base-Base interactions energy: -167.868
where: short stacking energy: -77.490
Base-Backbone interact. energy: 0.976
local terms energy: -86.352499
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -232.142554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.142554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.142554 (E_RNA)
where:
Base-Base interactions energy: -159.705
where: short stacking energy: -59.285
Base-Backbone interact. energy: -0.526
local terms energy: -71.911604
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -10.746
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: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -235.405431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.405431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.405431 (E_RNA)
where:
Base-Base interactions energy: -155.043
where: short stacking energy: -66.163
Base-Backbone interact. energy: 0.808
local terms energy: -81.170500
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -171.155787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.155787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.155787 (E_RNA)
where:
Base-Base interactions energy: -100.376
where: short stacking energy: -48.138
Base-Backbone interact. energy: -0.118
local terms energy: -70.661989
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -205.454559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.454559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.454559 (E_RNA)
where:
Base-Base interactions energy: -128.757
where: short stacking energy: -72.580
Base-Backbone interact. energy: -0.648
local terms energy: -76.049068
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -193.805621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.805621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.805621 (E_RNA)
where:
Base-Base interactions energy: -124.604
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.247
local terms energy: -68.954923
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -88.918286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.918286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.918286 (E_RNA)
where:
Base-Base interactions energy: -36.286
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.153
local terms energy: -52.479265
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -6.248
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: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -90.827513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.827513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.827513 (E_RNA)
where:
Base-Base interactions energy: -37.904
where: short stacking energy: -28.199
Base-Backbone interact. energy: 0.552
local terms energy: -53.475581
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -0.460
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: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -87.733438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.733438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.733438 (E_RNA)
where:
Base-Base interactions energy: -27.531
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.449
local terms energy: -59.753324
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -7.155
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: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -86.933780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933780 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -24.310
Base-Backbone interact. energy: -0.274
local terms energy: -51.459953
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -5.780
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: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -246.249741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.249741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.249741 (E_RNA)
where:
Base-Base interactions energy: -170.309
where: short stacking energy: -71.452
Base-Backbone interact. energy: 0.020
local terms energy: -75.960913
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -240.222649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.222649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.222649 (E_RNA)
where:
Base-Base interactions energy: -156.628
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.670
local terms energy: -82.925268
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -235.373310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.373310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.373310 (E_RNA)
where:
Base-Base interactions energy: -160.370
where: short stacking energy: -60.322
Base-Backbone interact. energy: -1.070
local terms energy: -73.932581
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.545
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: 303
Temperature: 1.050000
Total energy: -212.327875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.327875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.327875 (E_RNA)
where:
Base-Base interactions energy: -133.709
where: short stacking energy: -72.268
Base-Backbone interact. energy: -1.139
local terms energy: -77.479515
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -22.627
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: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -173.308024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.308024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.308024 (E_RNA)
where:
Base-Base interactions energy: -110.518
where: short stacking energy: -57.685
Base-Backbone interact. energy: -0.012
local terms energy: -62.777637
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -162.002066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.002066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.002066 (E_RNA)
where:
Base-Base interactions energy: -92.386
where: short stacking energy: -50.072
Base-Backbone interact. energy: -0.019
local terms energy: -69.596666
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -86.963683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.963683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.963683 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -30.269
Base-Backbone interact. energy: -0.316
local terms energy: -55.992593
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -12.183
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: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -89.141310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.141310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.141310 (E_RNA)
where:
Base-Base interactions energy: -37.814
where: short stacking energy: -26.371
Base-Backbone interact. energy: 1.933
local terms energy: -53.260354
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -3.306
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: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -95.110562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.110562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.110562 (E_RNA)
where:
Base-Base interactions energy: -35.706
where: short stacking energy: -28.555
Base-Backbone interact. energy: -0.389
local terms energy: -59.015565
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -79.651673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.651673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.651673 (E_RNA)
where:
Base-Base interactions energy: -40.406
where: short stacking energy: -22.890
Base-Backbone interact. energy: 0.648
local terms energy: -39.893223
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -1.069
tors. eta vs tors. theta energy: 0.119
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: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -245.013550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.013550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.013550 (E_RNA)
where:
Base-Base interactions energy: -167.835
where: short stacking energy: -66.635
Base-Backbone interact. energy: -0.898
local terms energy: -76.279861
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -254.813583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.813583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.813583 (E_RNA)
where:
Base-Base interactions energy: -180.129
where: short stacking energy: -70.624
Base-Backbone interact. energy: -0.230
local terms energy: -74.454376
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -213.769195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.769195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.769195 (E_RNA)
where:
Base-Base interactions energy: -135.002
where: short stacking energy: -71.726
Base-Backbone interact. energy: -0.113
local terms energy: -78.653943
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -224.573190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.573190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.573190 (E_RNA)
where:
Base-Base interactions energy: -156.900
where: short stacking energy: -60.830
Base-Backbone interact. energy: -0.634
local terms energy: -67.038322
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -12.617
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: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -180.752765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.752765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.752765 (E_RNA)
where:
Base-Base interactions energy: -109.794
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.087
local terms energy: -70.871587
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -145.487547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.487547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.487547 (E_RNA)
where:
Base-Base interactions energy: -77.770
where: short stacking energy: -38.400
Base-Backbone interact. energy: -0.170
local terms energy: -67.547348
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -105.101620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.101620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.101620 (E_RNA)
where:
Base-Base interactions energy: -46.276
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.191
local terms energy: -58.634787
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -12.992
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -99.253371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.253371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.253371 (E_RNA)
where:
Base-Base interactions energy: -45.526
where: short stacking energy: -42.072
Base-Backbone interact. energy: -0.104
local terms energy: -53.623188
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -96.481155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.481155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.481155 (E_RNA)
where:
Base-Base interactions energy: -33.235
where: short stacking energy: -31.647
Base-Backbone interact. energy: -0.068
local terms energy: -63.177418
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -79.386348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.386348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.386348 (E_RNA)
where:
Base-Base interactions energy: -21.581
where: short stacking energy: -20.636
Base-Backbone interact. energy: -0.178
local terms energy: -57.627234
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -4.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -256.243786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.243786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.243786 (E_RNA)
where:
Base-Base interactions energy: -170.335
where: short stacking energy: -65.712
Base-Backbone interact. energy: -0.235
local terms energy: -85.673925
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -241.899783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.899783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.899783 (E_RNA)
where:
Base-Base interactions energy: -173.174
where: short stacking energy: -77.533
Base-Backbone interact. energy: -0.081
local terms energy: -68.644997
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -223.832011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.832011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.832011 (E_RNA)
where:
Base-Base interactions energy: -136.668
where: short stacking energy: -79.390
Base-Backbone interact. energy: -0.370
local terms energy: -86.794474
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -22.359
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: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -229.512999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.512999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.512999 (E_RNA)
where:
Base-Base interactions energy: -156.600
where: short stacking energy: -59.786
Base-Backbone interact. energy: -1.841
local terms energy: -71.071682
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -11.867
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: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -194.366557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.366557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.366557 (E_RNA)
where:
Base-Base interactions energy: -128.185
where: short stacking energy: -58.441
Base-Backbone interact. energy: 2.418
local terms energy: -68.599797
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -149.227586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.227586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.227586 (E_RNA)
where:
Base-Base interactions energy: -87.645
where: short stacking energy: -45.920
Base-Backbone interact. energy: 0.237
local terms energy: -61.819464
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -7.741
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: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -108.833790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.833790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.833790 (E_RNA)
where:
Base-Base interactions energy: -42.313
where: short stacking energy: -43.113
Base-Backbone interact. energy: -0.028
local terms energy: -66.493367
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -9.599
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: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -89.523385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.523385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.523385 (E_RNA)
where:
Base-Base interactions energy: -32.215
where: short stacking energy: -29.665
Base-Backbone interact. energy: -0.815
local terms energy: -56.493678
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -6.778
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: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -95.400810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.400810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.400810 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.066
local terms energy: -56.760639
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -11.646
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: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -100.604302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.604302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.604302 (E_RNA)
where:
Base-Base interactions energy: -52.924
where: short stacking energy: -31.830
Base-Backbone interact. energy: -0.255
local terms energy: -47.424729
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -252.579480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.579480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.579480 (E_RNA)
where:
Base-Base interactions energy: -174.884
where: short stacking energy: -67.909
Base-Backbone interact. energy: -0.228
local terms energy: -77.466802
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -242.898143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.898143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.898143 (E_RNA)
where:
Base-Base interactions energy: -153.666
where: short stacking energy: -67.339
Base-Backbone interact. energy: -2.622
local terms energy: -86.609871
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -241.536974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.536974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.536974 (E_RNA)
where:
Base-Base interactions energy: -168.921
where: short stacking energy: -65.178
Base-Backbone interact. energy: 0.757
local terms energy: -73.372284
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.767
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: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -206.729486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.729486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.729486 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -69.479
Base-Backbone interact. energy: -0.042
local terms energy: -74.969618
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -182.187958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.187958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.187958 (E_RNA)
where:
Base-Base interactions energy: -119.926
where: short stacking energy: -52.081
Base-Backbone interact. energy: 1.578
local terms energy: -63.840538
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -158.126072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.126072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.126072 (E_RNA)
where:
Base-Base interactions energy: -88.977
where: short stacking energy: -51.918
Base-Backbone interact. energy: -0.865
local terms energy: -68.284564
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -8.631
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: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -98.446184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.446184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.446184 (E_RNA)
where:
Base-Base interactions energy: -36.646
where: short stacking energy: -34.494
Base-Backbone interact. energy: -0.134
local terms energy: -61.665894
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -9.869
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: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -96.383654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.383654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.383654 (E_RNA)
where:
Base-Base interactions energy: -46.128
where: short stacking energy: -26.844
Base-Backbone interact. energy: -0.452
local terms energy: -49.804045
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -84.744088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.744088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.744088 (E_RNA)
where:
Base-Base interactions energy: -30.438
where: short stacking energy: -24.192
Base-Backbone interact. energy: 0.549
local terms energy: -54.855583
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: 0.298
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: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -72.514845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.514845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.514845 (E_RNA)
where:
Base-Base interactions energy: -27.144
where: short stacking energy: -17.351
Base-Backbone interact. energy: -0.903
local terms energy: -44.467783
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: 6.114
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: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -244.628676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.628676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.628676 (E_RNA)
where:
Base-Base interactions energy: -167.323
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.273
local terms energy: -77.032652
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -242.927135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.927135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.927135 (E_RNA)
where:
Base-Base interactions energy: -173.676
where: short stacking energy: -69.180
Base-Backbone interact. energy: -1.546
local terms energy: -67.705172
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -245.185065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.185065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.185065 (E_RNA)
where:
Base-Base interactions energy: -168.281
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.068
local terms energy: -76.835077
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -14.163
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: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -219.727769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.727769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.727769 (E_RNA)
where:
Base-Base interactions energy: -138.490
where: short stacking energy: -73.591
Base-Backbone interact. energy: -0.019
local terms energy: -81.218544
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -199.941232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.941232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.941232 (E_RNA)
where:
Base-Base interactions energy: -134.281
where: short stacking energy: -53.938
Base-Backbone interact. energy: -0.108
local terms energy: -65.552930
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -154.750258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.750258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.750258 (E_RNA)
where:
Base-Base interactions energy: -87.696
where: short stacking energy: -45.772
Base-Backbone interact. energy: -1.162
local terms energy: -65.892561
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -6.473
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: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -95.460562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.460562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.460562 (E_RNA)
where:
Base-Base interactions energy: -36.946
where: short stacking energy: -36.946
Base-Backbone interact. energy: 0.352
local terms energy: -58.866282
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -10.301
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -97.427867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.427867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.427867 (E_RNA)
where:
Base-Base interactions energy: -43.480
where: short stacking energy: -34.904
Base-Backbone interact. energy: -1.032
local terms energy: -52.916172
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -97.378199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.378199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.378199 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -40.135
Base-Backbone interact. energy: -0.002
local terms energy: -57.241607
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -6.832
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -83.308507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.308507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.308507 (E_RNA)
where:
Base-Base interactions energy: -32.933
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.360
local terms energy: -50.015715
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -8.094
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: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -247.574852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.574852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.574852 (E_RNA)
where:
Base-Base interactions energy: -173.407
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.211
local terms energy: -73.957586
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -236.281226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.281226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.281226 (E_RNA)
where:
Base-Base interactions energy: -163.584
where: short stacking energy: -67.574
Base-Backbone interact. energy: -0.588
local terms energy: -72.109419
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -237.419485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.419485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.419485 (E_RNA)
where:
Base-Base interactions energy: -165.458
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.129
local terms energy: -71.832986
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -188.649628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.649628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.649628 (E_RNA)
where:
Base-Base interactions energy: -120.916
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.006
local terms energy: -67.727426
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -167.714580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.714580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.714580 (E_RNA)
where:
Base-Base interactions energy: -95.598
where: short stacking energy: -46.621
Base-Backbone interact. energy: -0.115
local terms energy: -72.000769
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -188.188335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.188335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.188335 (E_RNA)
where:
Base-Base interactions energy: -113.519
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.931
local terms energy: -73.738052
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -10.372
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: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -103.778840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.778840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.778840 (E_RNA)
where:
Base-Base interactions energy: -42.492
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.370
local terms energy: -60.916565
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -90.453746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.453746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.453746 (E_RNA)
where:
Base-Base interactions energy: -40.822
where: short stacking energy: -40.804
Base-Backbone interact. energy: 1.427
local terms energy: -51.058055
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -87.328570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.328570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.328570 (E_RNA)
where:
Base-Base interactions energy: -35.266
where: short stacking energy: -27.645
Base-Backbone interact. energy: -0.071
local terms energy: -51.991375
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.230
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: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -85.935261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.935261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.935261 (E_RNA)
where:
Base-Base interactions energy: -31.316
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.597
local terms energy: -54.022605
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -9.657
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: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -248.060110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.060110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.060110 (E_RNA)
where:
Base-Base interactions energy: -168.332
where: short stacking energy: -71.759
Base-Backbone interact. energy: -0.017
local terms energy: -79.711383
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -243.355422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.355422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.355422 (E_RNA)
where:
Base-Base interactions energy: -177.507
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.844
local terms energy: -65.004259
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -14.013
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: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -234.805637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.805637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.805637 (E_RNA)
where:
Base-Base interactions energy: -152.888
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.557
local terms energy: -81.360506
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -201.312652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.312652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.312652 (E_RNA)
where:
Base-Base interactions energy: -124.920
where: short stacking energy: -60.748
Base-Backbone interact. energy: -0.422
local terms energy: -75.969840
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.362
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: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -178.637010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.637010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.637010 (E_RNA)
where:
Base-Base interactions energy: -109.110
where: short stacking energy: -60.662
Base-Backbone interact. energy: -0.814
local terms energy: -68.713214
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -187.307442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.307442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.307442 (E_RNA)
where:
Base-Base interactions energy: -113.792
where: short stacking energy: -58.972
Base-Backbone interact. energy: -0.412
local terms energy: -73.103506
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -94.747189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.747189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.747189 (E_RNA)
where:
Base-Base interactions energy: -40.507
where: short stacking energy: -37.180
Base-Backbone interact. energy: -0.017
local terms energy: -54.222991
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -7.493
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -92.988266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.988266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.988266 (E_RNA)
where:
Base-Base interactions energy: -42.168
where: short stacking energy: -19.639
Base-Backbone interact. energy: -0.381
local terms energy: -50.439788
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -90.818122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.818122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.818122 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -29.029
Base-Backbone interact. energy: -0.278
local terms energy: -58.826271
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -79.702304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.702304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.702304 (E_RNA)
where:
Base-Base interactions energy: -28.591
where: short stacking energy: -27.497
Base-Backbone interact. energy: -0.153
local terms energy: -50.957873
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -7.855
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: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -256.309399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.309399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.309399 (E_RNA)
where:
Base-Base interactions energy: -179.633
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.615
local terms energy: -76.060978
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.581
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: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -243.992221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.992221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.992221 (E_RNA)
where:
Base-Base interactions energy: -167.996
where: short stacking energy: -70.801
Base-Backbone interact. energy: -0.513
local terms energy: -75.483950
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.307
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: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -230.038478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.038478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.038478 (E_RNA)
where:
Base-Base interactions energy: -152.300
where: short stacking energy: -73.383
Base-Backbone interact. energy: -0.225
local terms energy: -77.512695
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.427
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: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -202.532488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.532488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.532488 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.037
local terms energy: -74.578915
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.816
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: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -156.898262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.898262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.898262 (E_RNA)
where:
Base-Base interactions energy: -94.203
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.368
local terms energy: -62.327058
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -173.575755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.575755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.575755 (E_RNA)
where:
Base-Base interactions energy: -94.912
where: short stacking energy: -46.446
Base-Backbone interact. energy: -0.412
local terms energy: -78.252470
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -18.715
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: 310
Temperature: 1.200000
Total energy: -96.396449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.396449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.396449 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -35.074
Base-Backbone interact. energy: -0.004
local terms energy: -58.310782
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -106.714472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.714472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.714472 (E_RNA)
where:
Base-Base interactions energy: -58.743
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.045
local terms energy: -47.925757
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -7.022
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: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -102.131455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.131455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.131455 (E_RNA)
where:
Base-Base interactions energy: -35.552
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.305
local terms energy: -66.275149
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -79.806637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.806637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.806637 (E_RNA)
where:
Base-Base interactions energy: -31.329
where: short stacking energy: -31.329
Base-Backbone interact. energy: -0.078
local terms energy: -48.399755
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -253.810622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.810622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.810622 (E_RNA)
where:
Base-Base interactions energy: -175.093
where: short stacking energy: -70.757
Base-Backbone interact. energy: 1.069
local terms energy: -79.786797
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -14.514
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: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -242.745031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.745031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.745031 (E_RNA)
where:
Base-Base interactions energy: -165.376
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.439
local terms energy: -76.929495
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -242.297429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.297429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.297429 (E_RNA)
where:
Base-Base interactions energy: -168.618
where: short stacking energy: -73.539
Base-Backbone interact. energy: -0.533
local terms energy: -73.146655
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -200.239361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.239361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.239361 (E_RNA)
where:
Base-Base interactions energy: -126.388
where: short stacking energy: -70.907
Base-Backbone interact. energy: -0.205
local terms energy: -73.646823
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -197.279662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.279662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.279662 (E_RNA)
where:
Base-Base interactions energy: -119.396
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.157
local terms energy: -77.726697
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -187.727933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.727933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.727933 (E_RNA)
where:
Base-Base interactions energy: -116.564
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.063
local terms energy: -71.100841
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -7.456
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: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -97.939857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.939857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.939857 (E_RNA)
where:
Base-Base interactions energy: -39.893
where: short stacking energy: -38.892
Base-Backbone interact. energy: -0.189
local terms energy: -57.858176
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -98.876800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.876800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.876800 (E_RNA)
where:
Base-Base interactions energy: -37.396
where: short stacking energy: -38.340
Base-Backbone interact. energy: -0.014
local terms energy: -61.466115
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -6.492
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: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -87.072165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072165 (E_RNA)
where:
Base-Base interactions energy: -41.142
where: short stacking energy: -19.350
Base-Backbone interact. energy: -0.743
local terms energy: -45.186804
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: 5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -90.673998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.673998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.673998 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -28.273
Base-Backbone interact. energy: -0.105
local terms energy: -56.085833
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -245.634034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.634034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.634034 (E_RNA)
where:
Base-Base interactions energy: -162.070
where: short stacking energy: -72.077
Base-Backbone interact. energy: -1.395
local terms energy: -82.168507
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -250.975902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.975902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.975902 (E_RNA)
where:
Base-Base interactions energy: -170.225
where: short stacking energy: -69.133
Base-Backbone interact. energy: -1.284
local terms energy: -79.467568
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.856
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: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -220.644780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.644780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.644780 (E_RNA)
where:
Base-Base interactions energy: -144.774
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.932
local terms energy: -74.938243
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -12.578
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: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -200.832167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.832167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.832167 (E_RNA)
where:
Base-Base interactions energy: -126.836
where: short stacking energy: -62.992
Base-Backbone interact. energy: -0.562
local terms energy: -73.433745
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -11.338
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: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -179.097132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.097132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.097132 (E_RNA)
where:
Base-Base interactions energy: -111.573
where: short stacking energy: -63.414
Base-Backbone interact. energy: -0.001
local terms energy: -67.522563
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -165.922673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.922673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.922673 (E_RNA)
where:
Base-Base interactions energy: -102.836
where: short stacking energy: -45.959
Base-Backbone interact. energy: 0.545
local terms energy: -63.632250
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -104.715561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.715561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.715561 (E_RNA)
where:
Base-Base interactions energy: -46.584
where: short stacking energy: -46.584
Base-Backbone interact. energy: -0.205
local terms energy: -57.927153
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -99.360261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.360261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.360261 (E_RNA)
where:
Base-Base interactions energy: -41.427
where: short stacking energy: -40.953
Base-Backbone interact. energy: -0.095
local terms energy: -57.838179
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -84.428724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.428724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.428724 (E_RNA)
where:
Base-Base interactions energy: -42.516
where: short stacking energy: -27.955
Base-Backbone interact. energy: 0.948
local terms energy: -42.859885
where:
bonds (distance) C4'-P energy: -6.802
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -98.512820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.512820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.512820 (E_RNA)
where:
Base-Base interactions energy: -38.299
where: short stacking energy: -36.381
Base-Backbone interact. energy: -0.333
local terms energy: -59.880932
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -235.090078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.090078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.090078 (E_RNA)
where:
Base-Base interactions energy: -159.115
where: short stacking energy: -66.554
Base-Backbone interact. energy: -1.044
local terms energy: -74.930858
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -11.536
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: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -234.953337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.953337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.953337 (E_RNA)
where:
Base-Base interactions energy: -149.330
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.991
local terms energy: -84.632566
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -14.716
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: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -222.108933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.108933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.108933 (E_RNA)
where:
Base-Base interactions energy: -149.679
where: short stacking energy: -47.673
Base-Backbone interact. energy: -0.566
local terms energy: -71.864159
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.194
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: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -170.781781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.781781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.781781 (E_RNA)
where:
Base-Base interactions energy: -111.944
where: short stacking energy: -48.506
Base-Backbone interact. energy: 1.470
local terms energy: -60.308624
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -180.880898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.880898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.880898 (E_RNA)
where:
Base-Base interactions energy: -108.689
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.056
local terms energy: -72.136207
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -173.083248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.083248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.083248 (E_RNA)
where:
Base-Base interactions energy: -112.314
where: short stacking energy: -52.091
Base-Backbone interact. energy: 0.027
local terms energy: -60.796171
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -100.703418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.703418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.703418 (E_RNA)
where:
Base-Base interactions energy: -42.147
where: short stacking energy: -29.916
Base-Backbone interact. energy: -0.194
local terms energy: -58.362397
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -10.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -96.018855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.018855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.018855 (E_RNA)
where:
Base-Base interactions energy: -34.759
where: short stacking energy: -33.609
Base-Backbone interact. energy: 0.565
local terms energy: -61.825024
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -82.994913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.994913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.994913 (E_RNA)
where:
Base-Base interactions energy: -29.143
where: short stacking energy: -27.688
Base-Backbone interact. energy: -0.220
local terms energy: -53.631760
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: 2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -82.214401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.214401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.214401 (E_RNA)
where:
Base-Base interactions energy: -28.636
where: short stacking energy: -18.974
Base-Backbone interact. energy: -1.105
local terms energy: -52.473672
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -243.172795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.172795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.172795 (E_RNA)
where:
Base-Base interactions energy: -157.058
where: short stacking energy: -71.177
Base-Backbone interact. energy: -0.380
local terms energy: -85.735476
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -13.537
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: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -241.713949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.713949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.713949 (E_RNA)
where:
Base-Base interactions energy: -169.344
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.050
local terms energy: -72.319924
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -223.341184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.341184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.341184 (E_RNA)
where:
Base-Base interactions energy: -148.509
where: short stacking energy: -63.542
Base-Backbone interact. energy: 0.025
local terms energy: -74.857217
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -185.232075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.232075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.232075 (E_RNA)
where:
Base-Base interactions energy: -121.130
where: short stacking energy: -58.076
Base-Backbone interact. energy: -0.110
local terms energy: -63.992407
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -7.633
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: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -186.811876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.811876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.811876 (E_RNA)
where:
Base-Base interactions energy: -111.841
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.361
local terms energy: -74.609443
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -173.975048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.975048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.975048 (E_RNA)
where:
Base-Base interactions energy: -109.482
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.213
local terms energy: -64.280219
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -104.554836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.554836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.554836 (E_RNA)
where:
Base-Base interactions energy: -39.629
where: short stacking energy: -39.629
Base-Backbone interact. energy: -0.092
local terms energy: -64.834384
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -101.208104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.208104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.208104 (E_RNA)
where:
Base-Base interactions energy: -42.034
where: short stacking energy: -33.238
Base-Backbone interact. energy: -0.080
local terms energy: -59.094295
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -93.294864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.294864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.294864 (E_RNA)
where:
Base-Base interactions energy: -36.264
where: short stacking energy: -32.763
Base-Backbone interact. energy: -0.246
local terms energy: -56.785599
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -6.757
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: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -85.564749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564749 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.546
local terms energy: -45.873503
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -239.434673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.434673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.434673 (E_RNA)
where:
Base-Base interactions energy: -157.882
where: short stacking energy: -73.620
Base-Backbone interact. energy: -0.270
local terms energy: -81.282725
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -239.660106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.660106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.660106 (E_RNA)
where:
Base-Base interactions energy: -171.549
where: short stacking energy: -72.386
Base-Backbone interact. energy: -0.294
local terms energy: -67.817571
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -244.165955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.165955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.165955 (E_RNA)
where:
Base-Base interactions energy: -167.919
where: short stacking energy: -66.164
Base-Backbone interact. energy: -0.575
local terms energy: -75.671760
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -170.617126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.617126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.617126 (E_RNA)
where:
Base-Base interactions energy: -107.549
where: short stacking energy: -53.606
Base-Backbone interact. energy: -0.267
local terms energy: -62.801381
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -190.596248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.596248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.596248 (E_RNA)
where:
Base-Base interactions energy: -124.147
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.017
local terms energy: -66.432284
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -149.532105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.532105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.532105 (E_RNA)
where:
Base-Base interactions energy: -89.331
where: short stacking energy: -45.088
Base-Backbone interact. energy: -1.425
local terms energy: -58.776487
where:
bonds (distance) C4'-P energy: -7.382
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -102.435714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.435714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.435714 (E_RNA)
where:
Base-Base interactions energy: -43.063
where: short stacking energy: -42.230
Base-Backbone interact. energy: -0.093
local terms energy: -59.279823
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -92.769489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.769489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.769489 (E_RNA)
where:
Base-Base interactions energy: -41.743
where: short stacking energy: -36.817
Base-Backbone interact. energy: -0.360
local terms energy: -50.666771
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -87.492356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.492356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.492356 (E_RNA)
where:
Base-Base interactions energy: -32.380
where: short stacking energy: -13.560
Base-Backbone interact. energy: -0.214
local terms energy: -54.898906
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -82.126496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.126496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.126496 (E_RNA)
where:
Base-Base interactions energy: -22.286
where: short stacking energy: -21.774
Base-Backbone interact. energy: -0.098
local terms energy: -59.742340
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -248.109504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.109504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.109504 (E_RNA)
where:
Base-Base interactions energy: -171.019
where: short stacking energy: -68.685
Base-Backbone interact. energy: -0.345
local terms energy: -76.745236
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -235.871557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.871557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.871557 (E_RNA)
where:
Base-Base interactions energy: -155.870
where: short stacking energy: -69.450
Base-Backbone interact. energy: -0.332
local terms energy: -79.669914
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -240.185501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.185501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.185501 (E_RNA)
where:
Base-Base interactions energy: -172.334
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.169
local terms energy: -67.682254
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -12.101
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: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -164.892220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.892220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.892220 (E_RNA)
where:
Base-Base interactions energy: -104.913
where: short stacking energy: -41.919
Base-Backbone interact. energy: -0.091
local terms energy: -59.888545
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -11.500
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: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -170.303123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.303123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.303123 (E_RNA)
where:
Base-Base interactions energy: -96.835
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.125
local terms energy: -73.343272
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -178.740301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.740301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.740301 (E_RNA)
where:
Base-Base interactions energy: -117.196
where: short stacking energy: -51.753
Base-Backbone interact. energy: -0.326
local terms energy: -61.218347
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -100.726068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.726068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.726068 (E_RNA)
where:
Base-Base interactions energy: -47.653
where: short stacking energy: -37.659
Base-Backbone interact. energy: -0.217
local terms energy: -52.855967
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -10.795
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: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -88.034758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.034758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.034758 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -28.345
Base-Backbone interact. energy: -1.039
local terms energy: -56.067238
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -8.473
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: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -85.409552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.409552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.409552 (E_RNA)
where:
Base-Base interactions energy: -33.629
where: short stacking energy: -31.279
Base-Backbone interact. energy: 0.746
local terms energy: -52.526654
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -92.450635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.450635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.450635 (E_RNA)
where:
Base-Base interactions energy: -30.534
where: short stacking energy: -29.644
Base-Backbone interact. energy: -0.300
local terms energy: -61.616897
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -4.332
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: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -240.364562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.364562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.364562 (E_RNA)
where:
Base-Base interactions energy: -163.630
where: short stacking energy: -61.589
Base-Backbone interact. energy: 0.137
local terms energy: -76.871292
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -237.624132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.624132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.624132 (E_RNA)
where:
Base-Base interactions energy: -165.800
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.980
local terms energy: -70.843190
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -14.573
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: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -231.266867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.266867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.266867 (E_RNA)
where:
Base-Base interactions energy: -151.198
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.115
local terms energy: -79.954182
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -201.002344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.002344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.002344 (E_RNA)
where:
Base-Base interactions energy: -129.091
where: short stacking energy: -69.287
Base-Backbone interact. energy: 1.608
local terms energy: -73.519926
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -176.785781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.785781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.785781 (E_RNA)
where:
Base-Base interactions energy: -104.421
where: short stacking energy: -59.020
Base-Backbone interact. energy: 1.102
local terms energy: -73.466803
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -158.176813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.176813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.176813 (E_RNA)
where:
Base-Base interactions energy: -92.440
where: short stacking energy: -49.581
Base-Backbone interact. energy: -0.266
local terms energy: -65.470284
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -12.065
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: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -97.387417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.387417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.387417 (E_RNA)
where:
Base-Base interactions energy: -54.658
where: short stacking energy: -27.163
Base-Backbone interact. energy: 0.173
local terms energy: -42.902211
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: 1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -96.278643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.278643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.278643 (E_RNA)
where:
Base-Base interactions energy: -42.739
where: short stacking energy: -32.767
Base-Backbone interact. energy: -0.973
local terms energy: -52.565702
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -2.477
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -84.388341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.388341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.388341 (E_RNA)
where:
Base-Base interactions energy: -27.224
where: short stacking energy: -27.224
Base-Backbone interact. energy: -0.092
local terms energy: -57.071771
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -82.497520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497520 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -30.172
Base-Backbone interact. energy: 0.011
local terms energy: -48.279516
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -239.045436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.045436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.045436 (E_RNA)
where:
Base-Base interactions energy: -160.632
where: short stacking energy: -65.536
Base-Backbone interact. energy: 0.424
local terms energy: -78.837247
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -16.153
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: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -242.135201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.135201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.135201 (E_RNA)
where:
Base-Base interactions energy: -166.004
where: short stacking energy: -72.677
Base-Backbone interact. energy: 0.798
local terms energy: -76.929524
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -237.913395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.913395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.913395 (E_RNA)
where:
Base-Base interactions energy: -162.169
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.455
local terms energy: -75.289103
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -177.590763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.590763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.590763 (E_RNA)
where:
Base-Base interactions energy: -105.878
where: short stacking energy: -58.464
Base-Backbone interact. energy: -0.044
local terms energy: -71.668478
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -190.383552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.383552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.383552 (E_RNA)
where:
Base-Base interactions energy: -117.174
where: short stacking energy: -59.816
Base-Backbone interact. energy: -0.524
local terms energy: -72.685194
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -16.485
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: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -170.929741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.929741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.929741 (E_RNA)
where:
Base-Base interactions energy: -107.209
where: short stacking energy: -49.506
Base-Backbone interact. energy: -0.123
local terms energy: -63.597185
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -8.484
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -104.483255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.483255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.483255 (E_RNA)
where:
Base-Base interactions energy: -49.813
where: short stacking energy: -34.772
Base-Backbone interact. energy: -0.179
local terms energy: -54.491805
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -8.391
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: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -90.687754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.687754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.687754 (E_RNA)
where:
Base-Base interactions energy: -44.889
where: short stacking energy: -32.971
Base-Backbone interact. energy: -0.209
local terms energy: -45.589366
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -87.656455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.656455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.656455 (E_RNA)
where:
Base-Base interactions energy: -34.950
where: short stacking energy: -34.471
Base-Backbone interact. energy: -0.033
local terms energy: -52.672945
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -1.931
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: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -89.932727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.932727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.932727 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -32.226
Base-Backbone interact. energy: -0.035
local terms energy: -54.953981
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -11.631
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: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -250.154253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.154253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.154253 (E_RNA)
where:
Base-Base interactions energy: -170.021
where: short stacking energy: -68.196
Base-Backbone interact. energy: -0.280
local terms energy: -79.852895
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -18.715
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: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -238.308697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.308697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.308697 (E_RNA)
where:
Base-Base interactions energy: -159.562
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.543
local terms energy: -78.203641
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -249.294222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.294222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.294222 (E_RNA)
where:
Base-Base interactions energy: -170.342
where: short stacking energy: -69.182
Base-Backbone interact. energy: 0.142
local terms energy: -79.094050
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -197.983596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.983596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.983596 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.076
local terms energy: -72.746505
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -8.291
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: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -188.201505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.201505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.201505 (E_RNA)
where:
Base-Base interactions energy: -115.571
where: short stacking energy: -62.964
Base-Backbone interact. energy: -0.402
local terms energy: -72.228906
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -168.083939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.083939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.083939 (E_RNA)
where:
Base-Base interactions energy: -100.846
where: short stacking energy: -51.320
Base-Backbone interact. energy: 2.501
local terms energy: -69.739013
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -98.138001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.138001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.138001 (E_RNA)
where:
Base-Base interactions energy: -44.777
where: short stacking energy: -30.711
Base-Backbone interact. energy: 0.363
local terms energy: -53.723835
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: 1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -88.774697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.774697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.774697 (E_RNA)
where:
Base-Base interactions energy: -38.119
where: short stacking energy: -34.967
Base-Backbone interact. energy: -0.094
local terms energy: -50.562013
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -3.816
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: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -84.350838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.350838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.350838 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -27.065
Base-Backbone interact. energy: -0.160
local terms energy: -53.541348
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -8.493
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: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -91.346070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.346070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.346070 (E_RNA)
where:
Base-Base interactions energy: -32.029
where: short stacking energy: -29.145
Base-Backbone interact. energy: -0.049
local terms energy: -59.267345
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -250.771478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.771478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.771478 (E_RNA)
where:
Base-Base interactions energy: -172.565
where: short stacking energy: -68.908
Base-Backbone interact. energy: -0.435
local terms energy: -77.770829
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -17.153
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: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -239.738274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.738274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.738274 (E_RNA)
where:
Base-Base interactions energy: -161.770
where: short stacking energy: -68.912
Base-Backbone interact. energy: -0.314
local terms energy: -77.654528
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -243.711756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.711756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.711756 (E_RNA)
where:
Base-Base interactions energy: -165.419
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.287
local terms energy: -78.005543
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -19.258
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: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -207.254294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.254294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.254294 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -80.400
Base-Backbone interact. energy: -0.001
local terms energy: -70.950494
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -178.204319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.204319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.204319 (E_RNA)
where:
Base-Base interactions energy: -108.267
where: short stacking energy: -60.058
Base-Backbone interact. energy: -0.610
local terms energy: -69.327023
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -190.868981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.868981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.868981 (E_RNA)
where:
Base-Base interactions energy: -127.270
where: short stacking energy: -69.400
Base-Backbone interact. energy: -0.106
local terms energy: -63.492282
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -108.945657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.945657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.945657 (E_RNA)
where:
Base-Base interactions energy: -65.661
where: short stacking energy: -31.033
Base-Backbone interact. energy: -1.110
local terms energy: -42.175125
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -4.250
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -103.968195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.968195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.968195 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -37.814
Base-Backbone interact. energy: 0.065
local terms energy: -63.898459
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -12.047
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: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -84.304948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.304948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.304948 (E_RNA)
where:
Base-Base interactions energy: -25.559
where: short stacking energy: -22.396
Base-Backbone interact. energy: -0.147
local terms energy: -58.598740
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -5.369
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -91.935905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.935905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.935905 (E_RNA)
where:
Base-Base interactions energy: -30.890
where: short stacking energy: -25.771
Base-Backbone interact. energy: -0.331
local terms energy: -60.714867
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -247.083296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.083296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.083296 (E_RNA)
where:
Base-Base interactions energy: -172.741
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.158
local terms energy: -74.184237
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -17.097
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: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -243.475003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.475003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.475003 (E_RNA)
where:
Base-Base interactions energy: -169.007
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.500
local terms energy: -73.968004
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -237.870997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.870997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.870997 (E_RNA)
where:
Base-Base interactions energy: -166.370
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.205
local terms energy: -71.296512
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -20.134
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: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -204.344246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.344246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.344246 (E_RNA)
where:
Base-Base interactions energy: -127.548
where: short stacking energy: -64.530
Base-Backbone interact. energy: 0.632
local terms energy: -77.428204
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -16.205
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: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -184.635421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.635421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.635421 (E_RNA)
where:
Base-Base interactions energy: -121.123
where: short stacking energy: -50.121
Base-Backbone interact. energy: -0.258
local terms energy: -63.254406
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -11.934
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: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -180.201479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.201479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.201479 (E_RNA)
where:
Base-Base interactions energy: -114.613
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.106
local terms energy: -65.482982
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -14.802
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: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -115.902346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.902346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.902346 (E_RNA)
where:
Base-Base interactions energy: -53.765
where: short stacking energy: -48.014
Base-Backbone interact. energy: -0.112
local terms energy: -62.025693
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -5.048
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: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -87.547833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.547833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.547833 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -27.499
Base-Backbone interact. energy: 0.365
local terms energy: -54.034181
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -5.049
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: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -85.484362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.484362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.484362 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -32.388
Base-Backbone interact. energy: -0.559
local terms energy: -48.876475
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -4.401
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: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -78.262923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.262923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.262923 (E_RNA)
where:
Base-Base interactions energy: -27.390
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.092
local terms energy: -50.780824
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -5.654
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: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -243.900765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.900765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.900765 (E_RNA)
where:
Base-Base interactions energy: -166.451
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.593
local terms energy: -76.856776
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -249.348826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.348826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.348826 (E_RNA)
where:
Base-Base interactions energy: -164.313
where: short stacking energy: -71.590
Base-Backbone interact. energy: -0.555
local terms energy: -84.480731
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -225.953272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.953272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.953272 (E_RNA)
where:
Base-Base interactions energy: -143.954
where: short stacking energy: -77.952
Base-Backbone interact. energy: -0.489
local terms energy: -81.509942
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -225.489710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.489710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.489710 (E_RNA)
where:
Base-Base interactions energy: -151.791
where: short stacking energy: -69.645
Base-Backbone interact. energy: -0.718
local terms energy: -72.980734
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -190.942342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.942342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.942342 (E_RNA)
where:
Base-Base interactions energy: -114.994
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.039
local terms energy: -75.909276
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -184.156890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.156890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.156890 (E_RNA)
where:
Base-Base interactions energy: -101.912
where: short stacking energy: -47.219
Base-Backbone interact. energy: -1.914
local terms energy: -80.331320
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -95.391816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.391816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.391816 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -38.021
Base-Backbone interact. energy: -0.410
local terms energy: -56.401529
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -108.410384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.410384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.410384 (E_RNA)
where:
Base-Base interactions energy: -46.340
where: short stacking energy: -30.715
Base-Backbone interact. energy: -0.843
local terms energy: -61.227089
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.052
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: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -89.718728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.718728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.718728 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.114
local terms energy: -53.499344
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -7.657
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -78.897767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.897767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.897767 (E_RNA)
where:
Base-Base interactions energy: -34.563
where: short stacking energy: -34.563
Base-Backbone interact. energy: 0.971
local terms energy: -45.306111
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -4.526
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: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -235.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.318355 (E_RNA)
where:
Base-Base interactions energy: -162.997
where: short stacking energy: -70.410
Base-Backbone interact. energy: -0.231
local terms energy: -72.089824
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -246.765484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.765484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.765484 (E_RNA)
where:
Base-Base interactions energy: -165.761
where: short stacking energy: -69.779
Base-Backbone interact. energy: -1.128
local terms energy: -79.876098
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -214.215435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.215435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.215435 (E_RNA)
where:
Base-Base interactions energy: -137.761
where: short stacking energy: -70.774
Base-Backbone interact. energy: -0.414
local terms energy: -76.040051
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -231.311215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.311215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.311215 (E_RNA)
where:
Base-Base interactions energy: -151.508
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.247
local terms energy: -79.556616
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -197.341079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.341079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.341079 (E_RNA)
where:
Base-Base interactions energy: -129.184
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.008
local terms energy: -68.149828
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -170.324965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.324965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.324965 (E_RNA)
where:
Base-Base interactions energy: -105.383
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.140
local terms energy: -64.801436
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -11.359
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: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -104.162488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.162488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.162488 (E_RNA)
where:
Base-Base interactions energy: -39.412
where: short stacking energy: -39.412
Base-Backbone interact. energy: -0.130
local terms energy: -64.620687
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -84.004751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.004751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.004751 (E_RNA)
where:
Base-Base interactions energy: -35.878
where: short stacking energy: -33.665
Base-Backbone interact. energy: 3.008
local terms energy: -51.134760
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: 1.425
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: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -88.653528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.653528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.653528 (E_RNA)
where:
Base-Base interactions energy: -36.316
where: short stacking energy: -28.681
Base-Backbone interact. energy: -0.188
local terms energy: -52.149393
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -2.867
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: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -75.361165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.361165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.361165 (E_RNA)
where:
Base-Base interactions energy: -29.086
where: short stacking energy: -24.699
Base-Backbone interact. energy: -0.543
local terms energy: -45.732277
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: 4.623
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: 324
Temperature: 0.900000
Total energy: -244.733528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.733528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.733528 (E_RNA)
where:
Base-Base interactions energy: -167.637
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.239
local terms energy: -76.858004
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -237.156336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.156336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.156336 (E_RNA)
where:
Base-Base interactions energy: -162.729
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.225
local terms energy: -74.202482
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -14.503
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: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -230.989170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.989170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.989170 (E_RNA)
where:
Base-Base interactions energy: -155.305
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.317
local terms energy: -75.366634
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -12.359
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: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -217.740720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.740720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.740720 (E_RNA)
where:
Base-Base interactions energy: -136.681
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.984
local terms energy: -80.075524
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -185.535719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.535719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.535719 (E_RNA)
where:
Base-Base interactions energy: -108.609
where: short stacking energy: -62.097
Base-Backbone interact. energy: -0.001
local terms energy: -76.926306
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -169.408981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.408981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.408981 (E_RNA)
where:
Base-Base interactions energy: -110.463
where: short stacking energy: -53.534
Base-Backbone interact. energy: -0.015
local terms energy: -58.931410
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -6.056
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: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -106.878942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.878942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.878942 (E_RNA)
where:
Base-Base interactions energy: -52.989
where: short stacking energy: -46.092
Base-Backbone interact. energy: 0.371
local terms energy: -54.260624
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -89.832731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.832731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.832731 (E_RNA)
where:
Base-Base interactions energy: -32.867
where: short stacking energy: -32.867
Base-Backbone interact. energy: -0.091
local terms energy: -56.874736
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -104.672615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.672615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.672615 (E_RNA)
where:
Base-Base interactions energy: -49.152
where: short stacking energy: -32.697
Base-Backbone interact. energy: -1.042
local terms energy: -54.479509
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -80.480625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.480625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.480625 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -26.868
Base-Backbone interact. energy: -0.206
local terms energy: -50.666215
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -246.477625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.477625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.477625 (E_RNA)
where:
Base-Base interactions energy: -167.255
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.253
local terms energy: -78.970361
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -248.661905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.661905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.661905 (E_RNA)
where:
Base-Base interactions energy: -171.147
where: short stacking energy: -69.039
Base-Backbone interact. energy: -0.340
local terms energy: -77.174801
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -237.636560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.636560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.636560 (E_RNA)
where:
Base-Base interactions energy: -157.008
where: short stacking energy: -68.847
Base-Backbone interact. energy: -0.608
local terms energy: -80.020525
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -208.303434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.303434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.303434 (E_RNA)
where:
Base-Base interactions energy: -133.531
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.002
local terms energy: -74.770839
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -182.724206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.724206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.724206 (E_RNA)
where:
Base-Base interactions energy: -106.766
where: short stacking energy: -51.076
Base-Backbone interact. energy: -0.068
local terms energy: -75.890188
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -161.457328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.457328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.457328 (E_RNA)
where:
Base-Base interactions energy: -96.976
where: short stacking energy: -55.415
Base-Backbone interact. energy: 0.222
local terms energy: -64.702944
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -107.255228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.255228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.255228 (E_RNA)
where:
Base-Base interactions energy: -49.301
where: short stacking energy: -40.452
Base-Backbone interact. energy: -0.112
local terms energy: -57.843031
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -89.003314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.003314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.003314 (E_RNA)
where:
Base-Base interactions energy: -35.095
where: short stacking energy: -35.695
Base-Backbone interact. energy: -0.161
local terms energy: -53.747499
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -80.977309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.977309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.977309 (E_RNA)
where:
Base-Base interactions energy: -36.605
where: short stacking energy: -12.341
Base-Backbone interact. energy: -0.314
local terms energy: -44.059063
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -82.050266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.050266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.050266 (E_RNA)
where:
Base-Base interactions energy: -32.196
where: short stacking energy: -24.649
Base-Backbone interact. energy: -0.862
local terms energy: -48.991787
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -6.897
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: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -243.091734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.091734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.091734 (E_RNA)
where:
Base-Base interactions energy: -167.370
where: short stacking energy: -66.298
Base-Backbone interact. energy: -0.595
local terms energy: -75.127048
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -239.004055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.004055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.004055 (E_RNA)
where:
Base-Base interactions energy: -158.830
where: short stacking energy: -74.571
Base-Backbone interact. energy: -0.792
local terms energy: -79.381695
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -191.669756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.669756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.669756 (E_RNA)
where:
Base-Base interactions energy: -109.889
where: short stacking energy: -61.759
Base-Backbone interact. energy: -0.020
local terms energy: -81.761273
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -232.397432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.397432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.397432 (E_RNA)
where:
Base-Base interactions energy: -147.695
where: short stacking energy: -62.772
Base-Backbone interact. energy: -1.839
local terms energy: -82.863289
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -198.536882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.536882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.536882 (E_RNA)
where:
Base-Base interactions energy: -129.507
where: short stacking energy: -57.543
Base-Backbone interact. energy: -0.021
local terms energy: -69.008769
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -98.634077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.634077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.634077 (E_RNA)
where:
Base-Base interactions energy: -40.315
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.282
local terms energy: -58.036205
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -5.717
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: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -100.698431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.698431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.698431 (E_RNA)
where:
Base-Base interactions energy: -50.681
where: short stacking energy: -33.367
Base-Backbone interact. energy: 1.216
local terms energy: -51.232803
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -91.665405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.665405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.665405 (E_RNA)
where:
Base-Base interactions energy: -29.956
where: short stacking energy: -23.838
Base-Backbone interact. energy: -0.278
local terms energy: -61.431636
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -94.690502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.690502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.690502 (E_RNA)
where:
Base-Base interactions energy: -40.151
where: short stacking energy: -31.334
Base-Backbone interact. energy: -0.150
local terms energy: -54.389401
where:
bonds (distance) C4'-P energy: -9.575
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -79.943956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.943956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.943956 (E_RNA)
where:
Base-Base interactions energy: -39.286
where: short stacking energy: -20.327
Base-Backbone interact. energy: -0.333
local terms energy: -40.325293
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -6.693
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: 6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -250.525239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.525239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.525239 (E_RNA)
where:
Base-Base interactions energy: -173.709
where: short stacking energy: -68.636
Base-Backbone interact. energy: -0.138
local terms energy: -76.678084
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -10.771
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: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -238.581086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.581086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.581086 (E_RNA)
where:
Base-Base interactions energy: -164.272
where: short stacking energy: -75.605
Base-Backbone interact. energy: 0.620
local terms energy: -74.928671
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -192.403434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.403434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.403434 (E_RNA)
where:
Base-Base interactions energy: -112.048
where: short stacking energy: -70.627
Base-Backbone interact. energy: -1.410
local terms energy: -78.945070
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -13.486
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: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -235.742945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.742945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.742945 (E_RNA)
where:
Base-Base interactions energy: -162.741
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.342
local terms energy: -72.659797
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -183.161604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.161604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.161604 (E_RNA)
where:
Base-Base interactions energy: -110.734
where: short stacking energy: -54.117
Base-Backbone interact. energy: -0.056
local terms energy: -72.371988
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -12.561
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: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -99.634085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.634085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.634085 (E_RNA)
where:
Base-Base interactions energy: -45.263
where: short stacking energy: -31.775
Base-Backbone interact. energy: -0.563
local terms energy: -53.808213
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -111.254107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.254107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.254107 (E_RNA)
where:
Base-Base interactions energy: -52.595
where: short stacking energy: -35.412
Base-Backbone interact. energy: -0.889
local terms energy: -57.769859
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -89.368200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.368200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.368200 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -21.458
Base-Backbone interact. energy: -3.212
local terms energy: -47.463378
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: 2.108
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: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -79.387628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.387628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.387628 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -31.068
Base-Backbone interact. energy: -0.310
local terms energy: -45.740021
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: 0.396
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -79.862836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.862836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.862836 (E_RNA)
where:
Base-Base interactions energy: -36.855
where: short stacking energy: -24.514
Base-Backbone interact. energy: -0.242
local terms energy: -42.765825
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: 0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -246.591675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.591675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.591675 (E_RNA)
where:
Base-Base interactions energy: -171.453
where: short stacking energy: -70.571
Base-Backbone interact. energy: 0.283
local terms energy: -75.422003
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -8.558
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: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -238.533740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.533740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.533740 (E_RNA)
where:
Base-Base interactions energy: -164.661
where: short stacking energy: -63.513
Base-Backbone interact. energy: 0.320
local terms energy: -74.193494
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -233.449030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.449030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.449030 (E_RNA)
where:
Base-Base interactions energy: -151.970
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.710
local terms energy: -80.769917
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -212.470601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.470601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.470601 (E_RNA)
where:
Base-Base interactions energy: -135.671
where: short stacking energy: -72.397
Base-Backbone interact. energy: -0.101
local terms energy: -76.698890
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -184.736185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.736185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.736185 (E_RNA)
where:
Base-Base interactions energy: -115.329
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.084
local terms energy: -69.322806
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -101.076087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.076087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.076087 (E_RNA)
where:
Base-Base interactions energy: -41.575
where: short stacking energy: -32.606
Base-Backbone interact. energy: -0.282
local terms energy: -59.219205
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -93.576283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.576283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.576283 (E_RNA)
where:
Base-Base interactions energy: -39.844
where: short stacking energy: -38.143
Base-Backbone interact. energy: 1.429
local terms energy: -55.162179
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -7.703
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: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -105.442596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.442596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.442596 (E_RNA)
where:
Base-Base interactions energy: -53.158
where: short stacking energy: -20.241
Base-Backbone interact. energy: 1.051
local terms energy: -53.335715
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: 2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -96.847963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.847963 (E_RNA)
where:
Base-Base interactions energy: -37.016
where: short stacking energy: -34.189
Base-Backbone interact. energy: -0.087
local terms energy: -59.744521
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -9.802
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: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -78.771815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.771815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.771815 (E_RNA)
where:
Base-Base interactions energy: -31.173
where: short stacking energy: -31.173
Base-Backbone interact. energy: -0.715
local terms energy: -46.882908
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -247.461511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.461511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.461511 (E_RNA)
where:
Base-Base interactions energy: -166.168
where: short stacking energy: -72.294
Base-Backbone interact. energy: -1.807
local terms energy: -79.487300
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -20.751
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: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -253.875884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.875884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.875884 (E_RNA)
where:
Base-Base interactions energy: -179.554
where: short stacking energy: -71.307
Base-Backbone interact. energy: 0.265
local terms energy: -74.586844
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -229.865556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.865556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.865556 (E_RNA)
where:
Base-Base interactions energy: -152.812
where: short stacking energy: -62.280
Base-Backbone interact. energy: -0.582
local terms energy: -76.470597
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -198.909298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.909298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.909298 (E_RNA)
where:
Base-Base interactions energy: -135.512
where: short stacking energy: -59.594
Base-Backbone interact. energy: -0.129
local terms energy: -63.269044
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -193.794128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.794128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.794128 (E_RNA)
where:
Base-Base interactions energy: -119.651
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.425
local terms energy: -73.717549
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -121.841550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.841550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.841550 (E_RNA)
where:
Base-Base interactions energy: -65.798
where: short stacking energy: -43.874
Base-Backbone interact. energy: -0.098
local terms energy: -55.945109
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -94.504599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.504599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.504599 (E_RNA)
where:
Base-Base interactions energy: -33.101
where: short stacking energy: -32.748
Base-Backbone interact. energy: -0.082
local terms energy: -61.321273
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -10.830
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: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -92.222432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.222432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.222432 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -28.325
Base-Backbone interact. energy: -0.119
local terms energy: -54.538102
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -87.802775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.802775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.802775 (E_RNA)
where:
Base-Base interactions energy: -32.811
where: short stacking energy: -25.900
Base-Backbone interact. energy: -0.455
local terms energy: -54.536778
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -85.551731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.551731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.551731 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -32.526
Base-Backbone interact. energy: -0.251
local terms energy: -52.505402
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -249.961140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.961140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.961140 (E_RNA)
where:
Base-Base interactions energy: -176.995
where: short stacking energy: -75.040
Base-Backbone interact. energy: 1.001
local terms energy: -73.967265
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.960
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: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -236.164089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.164089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.164089 (E_RNA)
where:
Base-Base interactions energy: -157.150
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.297
local terms energy: -78.717246
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -16.352
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: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -229.493361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.493361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.493361 (E_RNA)
where:
Base-Base interactions energy: -160.653
where: short stacking energy: -62.142
Base-Backbone interact. energy: -1.581
local terms energy: -67.258828
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -179.012892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.012892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.012892 (E_RNA)
where:
Base-Base interactions energy: -118.537
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.148
local terms energy: -60.328124
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -183.980922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.980922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.980922 (E_RNA)
where:
Base-Base interactions energy: -119.623
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.031
local terms energy: -64.327062
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -118.848584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.848584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.848584 (E_RNA)
where:
Base-Base interactions energy: -57.462
where: short stacking energy: -47.902
Base-Backbone interact. energy: -1.123
local terms energy: -60.263284
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -109.453274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.453274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.453274 (E_RNA)
where:
Base-Base interactions energy: -45.893
where: short stacking energy: -45.893
Base-Backbone interact. energy: -0.105
local terms energy: -63.455163
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -8.081
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: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -91.781221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.781221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.781221 (E_RNA)
where:
Base-Base interactions energy: -34.938
where: short stacking energy: -34.938
Base-Backbone interact. energy: 0.019
local terms energy: -56.861756
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -84.750121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.750121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.750121 (E_RNA)
where:
Base-Base interactions energy: -32.705
where: short stacking energy: -29.274
Base-Backbone interact. energy: -0.210
local terms energy: -51.834750
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -11.553
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -85.074459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.074459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.074459 (E_RNA)
where:
Base-Base interactions energy: -38.936
where: short stacking energy: -32.834
Base-Backbone interact. energy: -0.453
local terms energy: -45.685227
where:
bonds (distance) C4'-P energy: -8.273
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -250.040737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.040737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.040737 (E_RNA)
where:
Base-Base interactions energy: -176.333
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.204
local terms energy: -73.503238
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -235.668688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.668688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.668688 (E_RNA)
where:
Base-Base interactions energy: -154.830
where: short stacking energy: -61.665
Base-Backbone interact. energy: 0.247
local terms energy: -81.085739
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -227.677046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.677046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.677046 (E_RNA)
where:
Base-Base interactions energy: -159.981
where: short stacking energy: -52.207
Base-Backbone interact. energy: -0.082
local terms energy: -67.614135
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -189.166799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.166799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.166799 (E_RNA)
where:
Base-Base interactions energy: -122.232
where: short stacking energy: -64.489
Base-Backbone interact. energy: -0.132
local terms energy: -66.802015
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -189.805789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.805789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.805789 (E_RNA)
where:
Base-Base interactions energy: -119.161
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.083
local terms energy: -70.562014
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -13.372
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: 331
Temperature: 1.150000
Total energy: -101.383145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.383145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.383145 (E_RNA)
where:
Base-Base interactions energy: -44.986
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.250
local terms energy: -56.147222
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -6.683
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: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -94.173962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.173962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.173962 (E_RNA)
where:
Base-Base interactions energy: -30.535
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.075
local terms energy: -63.564460
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -119.301769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.301769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.301769 (E_RNA)
where:
Base-Base interactions energy: -63.145
where: short stacking energy: -38.349
Base-Backbone interact. energy: -0.382
local terms energy: -55.774399
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -3.127
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: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -131.093141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.093141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.093141 (E_RNA)
where:
Base-Base interactions energy: -75.211
where: short stacking energy: -34.708
Base-Backbone interact. energy: 1.263
local terms energy: -57.145676
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -80.088975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.088975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.088975 (E_RNA)
where:
Base-Base interactions energy: -28.334
where: short stacking energy: -24.320
Base-Backbone interact. energy: -0.283
local terms energy: -51.472034
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -9.121
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: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -244.404071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.404071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.404071 (E_RNA)
where:
Base-Base interactions energy: -162.675
where: short stacking energy: -80.641
Base-Backbone interact. energy: -0.159
local terms energy: -81.570713
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -256.977384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.977384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.977384 (E_RNA)
where:
Base-Base interactions energy: -176.485
where: short stacking energy: -70.536
Base-Backbone interact. energy: -0.084
local terms energy: -80.408248
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -16.815
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: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -201.926466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.926466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.926466 (E_RNA)
where:
Base-Base interactions energy: -133.831
where: short stacking energy: -56.011
Base-Backbone interact. energy: -0.175
local terms energy: -67.919571
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -203.920645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.920645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.920645 (E_RNA)
where:
Base-Base interactions energy: -129.804
where: short stacking energy: -69.150
Base-Backbone interact. energy: -0.082
local terms energy: -74.034381
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -191.697750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.697750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.697750 (E_RNA)
where:
Base-Base interactions energy: -117.351
where: short stacking energy: -57.506
Base-Backbone interact. energy: -0.341
local terms energy: -74.005953
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -99.990392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.990392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.990392 (E_RNA)
where:
Base-Base interactions energy: -42.712
where: short stacking energy: -39.744
Base-Backbone interact. energy: -0.051
local terms energy: -57.227473
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -6.823
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: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -113.180117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.180117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.180117 (E_RNA)
where:
Base-Base interactions energy: -49.003
where: short stacking energy: -38.700
Base-Backbone interact. energy: -0.051
local terms energy: -64.125888
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -99.703171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.703171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.703171 (E_RNA)
where:
Base-Base interactions energy: -44.745
where: short stacking energy: -44.745
Base-Backbone interact. energy: -0.043
local terms energy: -54.915229
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -8.094
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -81.480307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.480307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.480307 (E_RNA)
where:
Base-Base interactions energy: -29.849
where: short stacking energy: -22.163
Base-Backbone interact. energy: -0.937
local terms energy: -50.694927
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -88.798414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.798414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.798414 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -30.154
Base-Backbone interact. energy: -0.222
local terms energy: -57.184388
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -258.916740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.916740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.916740 (E_RNA)
where:
Base-Base interactions energy: -173.963
where: short stacking energy: -68.185
Base-Backbone interact. energy: -0.394
local terms energy: -84.560532
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -259.445855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.445855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.445855 (E_RNA)
where:
Base-Base interactions energy: -190.930
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.177
local terms energy: -68.338461
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -207.576620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.576620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.576620 (E_RNA)
where:
Base-Base interactions energy: -132.571
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.467
local terms energy: -74.538562
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -12.226
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: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -189.039443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.039443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.039443 (E_RNA)
where:
Base-Base interactions energy: -117.230
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.158
local terms energy: -71.650934
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -191.987328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.987328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.987328 (E_RNA)
where:
Base-Base interactions energy: -113.200
where: short stacking energy: -45.699
Base-Backbone interact. energy: -0.122
local terms energy: -78.665526
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -101.256269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.256269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.256269 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -46.624
Base-Backbone interact. energy: 3.520
local terms energy: -58.152691
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -100.372913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.372913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.372913 (E_RNA)
where:
Base-Base interactions energy: -40.935
where: short stacking energy: -38.564
Base-Backbone interact. energy: -0.129
local terms energy: -59.309609
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -124.561019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.561019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.561019 (E_RNA)
where:
Base-Base interactions energy: -67.444
where: short stacking energy: -41.583
Base-Backbone interact. energy: -0.175
local terms energy: -56.941331
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.119
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: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -87.273757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.273757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.273757 (E_RNA)
where:
Base-Base interactions energy: -33.191
where: short stacking energy: -23.475
Base-Backbone interact. energy: -0.445
local terms energy: -53.636824
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: 3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -85.794545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.794545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.794545 (E_RNA)
where:
Base-Base interactions energy: -35.518
where: short stacking energy: -30.035
Base-Backbone interact. energy: -0.455
local terms energy: -49.821695
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -7.852
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: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -251.482033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.482033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.482033 (E_RNA)
where:
Base-Base interactions energy: -174.387
where: short stacking energy: -67.814
Base-Backbone interact. energy: -1.496
local terms energy: -75.598738
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -8.302
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: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -249.187495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.187495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.187495 (E_RNA)
where:
Base-Base interactions energy: -178.651
where: short stacking energy: -76.608
Base-Backbone interact. energy: -0.238
local terms energy: -70.298960
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -16.741
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: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -195.045684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.045684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.045684 (E_RNA)
where:
Base-Base interactions energy: -125.189
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.478
local terms energy: -69.378785
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -200.622421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.622421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.622421 (E_RNA)
where:
Base-Base interactions energy: -125.546
where: short stacking energy: -57.987
Base-Backbone interact. energy: -0.126
local terms energy: -74.950658
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.965
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: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -207.686733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.686733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.686733 (E_RNA)
where:
Base-Base interactions energy: -132.579
where: short stacking energy: -76.816
Base-Backbone interact. energy: -0.042
local terms energy: -75.065741
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -7.063
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: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -123.887466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.887466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.887466 (E_RNA)
where:
Base-Base interactions energy: -60.640
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.163
local terms energy: -63.085027
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -100.319554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.319554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.319554 (E_RNA)
where:
Base-Base interactions energy: -48.080
where: short stacking energy: -33.641
Base-Backbone interact. energy: -0.244
local terms energy: -51.995612
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -89.987323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.987323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.987323 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -21.858
Base-Backbone interact. energy: -0.382
local terms energy: -52.142361
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -83.429972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.429972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.429972 (E_RNA)
where:
Base-Base interactions energy: -28.344
where: short stacking energy: -22.304
Base-Backbone interact. energy: -0.510
local terms energy: -54.576533
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -8.317
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: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -84.594886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.594886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.594886 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -32.605
Base-Backbone interact. energy: -0.187
local terms energy: -47.788613
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -6.593
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -251.525853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.525853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.525853 (E_RNA)
where:
Base-Base interactions energy: -170.472
where: short stacking energy: -73.565
Base-Backbone interact. energy: -0.202
local terms energy: -80.851844
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -245.143097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.143097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.143097 (E_RNA)
where:
Base-Base interactions energy: -167.056
where: short stacking energy: -65.132
Base-Backbone interact. energy: -0.435
local terms energy: -77.652162
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -188.213912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.213912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.213912 (E_RNA)
where:
Base-Base interactions energy: -118.933
where: short stacking energy: -52.849
Base-Backbone interact. energy: -0.056
local terms energy: -69.225084
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -201.422351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.422351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.422351 (E_RNA)
where:
Base-Base interactions energy: -120.534
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.411
local terms energy: -80.477283
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -195.252721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.252721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.252721 (E_RNA)
where:
Base-Base interactions energy: -131.644
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.318
local terms energy: -63.290560
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -112.401439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.401439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.401439 (E_RNA)
where:
Base-Base interactions energy: -48.267
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.146
local terms energy: -63.989234
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -94.511452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.511452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.511452 (E_RNA)
where:
Base-Base interactions energy: -30.003
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.209
local terms energy: -64.298913
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -95.929977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.929977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.929977 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -27.332
Base-Backbone interact. energy: -0.411
local terms energy: -62.529079
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -87.506802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506802 (E_RNA)
where:
Base-Base interactions energy: -30.984
where: short stacking energy: -29.936
Base-Backbone interact. energy: -0.296
local terms energy: -56.226717
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -95.899019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.899019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.899019 (E_RNA)
where:
Base-Base interactions energy: -38.201
where: short stacking energy: -27.808
Base-Backbone interact. energy: 1.078
local terms energy: -58.776876
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -6.354
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: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -256.025781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.025781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.025781 (E_RNA)
where:
Base-Base interactions energy: -174.760
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.159
local terms energy: -81.106722
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -259.263723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.263723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.263723 (E_RNA)
where:
Base-Base interactions energy: -180.868
where: short stacking energy: -73.446
Base-Backbone interact. energy: -0.110
local terms energy: -78.286429
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -206.765507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.765507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.765507 (E_RNA)
where:
Base-Base interactions energy: -135.828
where: short stacking energy: -59.596
Base-Backbone interact. energy: 0.731
local terms energy: -71.668210
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -181.828384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.828384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.828384 (E_RNA)
where:
Base-Base interactions energy: -124.768
where: short stacking energy: -43.941
Base-Backbone interact. energy: -0.294
local terms energy: -56.766420
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -159.472767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.472767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.472767 (E_RNA)
where:
Base-Base interactions energy: -96.665
where: short stacking energy: -48.797
Base-Backbone interact. energy: 0.559
local terms energy: -63.366311
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -102.882756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.882756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.882756 (E_RNA)
where:
Base-Base interactions energy: -51.217
where: short stacking energy: -26.440
Base-Backbone interact. energy: -0.235
local terms energy: -51.431336
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: 3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -104.553290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.553290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.553290 (E_RNA)
where:
Base-Base interactions energy: -38.793
where: short stacking energy: -34.414
Base-Backbone interact. energy: -0.656
local terms energy: -65.104864
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -108.337254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.337254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.337254 (E_RNA)
where:
Base-Base interactions energy: -43.013
where: short stacking energy: -43.013
Base-Backbone interact. energy: -0.048
local terms energy: -65.276614
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -102.739342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.739342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.739342 (E_RNA)
where:
Base-Base interactions energy: -39.385
where: short stacking energy: -39.385
Base-Backbone interact. energy: -0.206
local terms energy: -63.147979
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -10.029
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: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -91.506044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.506044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.506044 (E_RNA)
where:
Base-Base interactions energy: -48.090
where: short stacking energy: -24.975
Base-Backbone interact. energy: 0.402
local terms energy: -43.818475
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -10.673
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: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -256.524002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.524002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.524002 (E_RNA)
where:
Base-Base interactions energy: -175.987
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.171
local terms energy: -80.366545
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -249.611287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.611287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.611287 (E_RNA)
where:
Base-Base interactions energy: -171.166
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.072
local terms energy: -78.373843
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -207.470192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.470192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.470192 (E_RNA)
where:
Base-Base interactions energy: -132.971
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.011
local terms energy: -74.488346
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -187.629680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.629680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.629680 (E_RNA)
where:
Base-Base interactions energy: -116.215
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.088
local terms energy: -71.325958
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -14.050
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: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -174.444329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.444329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.444329 (E_RNA)
where:
Base-Base interactions energy: -101.514
where: short stacking energy: -53.546
Base-Backbone interact. energy: -0.046
local terms energy: -72.884328
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -106.798417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.798417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.798417 (E_RNA)
where:
Base-Base interactions energy: -47.704
where: short stacking energy: -28.939
Base-Backbone interact. energy: -0.083
local terms energy: -59.011732
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -102.643307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.643307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.643307 (E_RNA)
where:
Base-Base interactions energy: -52.785
where: short stacking energy: -30.048
Base-Backbone interact. energy: 0.048
local terms energy: -49.905535
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -114.639874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.639874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.639874 (E_RNA)
where:
Base-Base interactions energy: -64.409
where: short stacking energy: -38.616
Base-Backbone interact. energy: -0.143
local terms energy: -50.088152
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -6.278
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: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -98.503731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.503731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.503731 (E_RNA)
where:
Base-Base interactions energy: -29.820
where: short stacking energy: -28.673
Base-Backbone interact. energy: -1.155
local terms energy: -67.529187
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -77.280118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.280118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.280118 (E_RNA)
where:
Base-Base interactions energy: -34.532
where: short stacking energy: -31.013
Base-Backbone interact. energy: -0.158
local terms energy: -42.590631
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -2.519
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: 338
Temperature: 0.900000
Total energy: -258.049069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.049069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.049069 (E_RNA)
where:
Base-Base interactions energy: -178.733
where: short stacking energy: -61.234
Base-Backbone interact. energy: -1.235
local terms energy: -78.080648
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -12.092
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: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -247.703880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.703880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.703880 (E_RNA)
where:
Base-Base interactions energy: -170.924
where: short stacking energy: -65.526
Base-Backbone interact. energy: -0.119
local terms energy: -76.660714
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.646
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: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -211.636336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.636336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.636336 (E_RNA)
where:
Base-Base interactions energy: -135.591
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.023
local terms energy: -76.023155
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -10.129
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: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -202.213295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.213295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.213295 (E_RNA)
where:
Base-Base interactions energy: -132.096
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.525
local terms energy: -69.592144
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -11.832
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: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -182.978947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.978947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.978947 (E_RNA)
where:
Base-Base interactions energy: -112.088
where: short stacking energy: -51.133
Base-Backbone interact. energy: -0.176
local terms energy: -70.714953
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -126.484806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.484806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.484806 (E_RNA)
where:
Base-Base interactions energy: -68.094
where: short stacking energy: -51.593
Base-Backbone interact. energy: 0.386
local terms energy: -58.777364
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -119.207138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.207138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.207138 (E_RNA)
where:
Base-Base interactions energy: -58.806
where: short stacking energy: -43.374
Base-Backbone interact. energy: 1.167
local terms energy: -61.567788
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -110.632665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.632665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.632665 (E_RNA)
where:
Base-Base interactions energy: -49.827
where: short stacking energy: -36.766
Base-Backbone interact. energy: -0.125
local terms energy: -60.680405
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -88.047969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047969 (E_RNA)
where:
Base-Base interactions energy: -41.230
where: short stacking energy: -40.678
Base-Backbone interact. energy: -0.070
local terms energy: -46.748540
where:
bonds (distance) C4'-P energy: -6.599
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -4.432
tors. eta vs tors. theta energy: -7.130
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: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -83.293524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293524 (E_RNA)
where:
Base-Base interactions energy: -23.713
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.221
local terms energy: -59.359422
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -256.964182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.964182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.964182 (E_RNA)
where:
Base-Base interactions energy: -180.684
where: short stacking energy: -66.042
Base-Backbone interact. energy: 0.099
local terms energy: -76.378810
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -231.603808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.603808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.603808 (E_RNA)
where:
Base-Base interactions energy: -152.472
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.707
local terms energy: -78.424577
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -203.900469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.900469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.900469 (E_RNA)
where:
Base-Base interactions energy: -142.815
where: short stacking energy: -65.496
Base-Backbone interact. energy: -0.078
local terms energy: -61.007502
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.963
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: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -186.863790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.863790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.863790 (E_RNA)
where:
Base-Base interactions energy: -123.846
where: short stacking energy: -41.463
Base-Backbone interact. energy: -0.663
local terms energy: -62.354920
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -7.533
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: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -168.063688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.063688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.063688 (E_RNA)
where:
Base-Base interactions energy: -98.829
where: short stacking energy: -49.068
Base-Backbone interact. energy: -0.901
local terms energy: -68.334111
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -14.652
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: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -122.979232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.979232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.979232 (E_RNA)
where:
Base-Base interactions energy: -65.075
where: short stacking energy: -37.080
Base-Backbone interact. energy: -0.525
local terms energy: -57.378911
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -90.105258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.105258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.105258 (E_RNA)
where:
Base-Base interactions energy: -35.288
where: short stacking energy: -26.532
Base-Backbone interact. energy: -0.352
local terms energy: -54.465085
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -87.341362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.341362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.341362 (E_RNA)
where:
Base-Base interactions energy: -29.548
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.400
local terms energy: -57.393412
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -94.063523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.063523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.063523 (E_RNA)
where:
Base-Base interactions energy: -40.646
where: short stacking energy: -20.026
Base-Backbone interact. energy: -0.057
local terms energy: -53.359831
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -11.098
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: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -79.269269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.269269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.269269 (E_RNA)
where:
Base-Base interactions energy: -27.387
where: short stacking energy: -27.387
Base-Backbone interact. energy: -0.739
local terms energy: -51.143546
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: 1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -260.745297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.745297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.745297 (E_RNA)
where:
Base-Base interactions energy: -191.452
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.616
local terms energy: -68.677159
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -241.727239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.727239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.727239 (E_RNA)
where:
Base-Base interactions energy: -174.255
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.360
local terms energy: -67.112721
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -215.138134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.138134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.138134 (E_RNA)
where:
Base-Base interactions energy: -138.035
where: short stacking energy: -61.860
Base-Backbone interact. energy: -0.014
local terms energy: -77.089232
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -10.022
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: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -191.682935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.682935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.682935 (E_RNA)
where:
Base-Base interactions energy: -123.310
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.424
local terms energy: -67.948955
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -8.735
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: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -167.770704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.770704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.770704 (E_RNA)
where:
Base-Base interactions energy: -101.548
where: short stacking energy: -47.838
Base-Backbone interact. energy: -0.203
local terms energy: -66.020112
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -13.487
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: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -134.955522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.955522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.955522 (E_RNA)
where:
Base-Base interactions energy: -78.910
where: short stacking energy: -46.853
Base-Backbone interact. energy: -0.315
local terms energy: -55.730637
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -116.184156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.184156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.184156 (E_RNA)
where:
Base-Base interactions energy: -64.458
where: short stacking energy: -34.346
Base-Backbone interact. energy: -0.340
local terms energy: -51.386336
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -104.181186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.181186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.181186 (E_RNA)
where:
Base-Base interactions energy: -55.782
where: short stacking energy: -40.132
Base-Backbone interact. energy: -0.366
local terms energy: -48.034006
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -9.930
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: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -92.929329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.929329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.929329 (E_RNA)
where:
Base-Base interactions energy: -30.250
where: short stacking energy: -30.250
Base-Backbone interact. energy: -0.086
local terms energy: -62.593195
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -6.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -70.701384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.701384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.701384 (E_RNA)
where:
Base-Base interactions energy: -19.569
where: short stacking energy: -18.265
Base-Backbone interact. energy: -0.696
local terms energy: -50.436297
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -6.090
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: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -244.711883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.711883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.711883 (E_RNA)
where:
Base-Base interactions energy: -174.453
where: short stacking energy: -71.757
Base-Backbone interact. energy: -0.010
local terms energy: -70.249062
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -237.792194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.792194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.792194 (E_RNA)
where:
Base-Base interactions energy: -157.173
where: short stacking energy: -64.854
Base-Backbone interact. energy: 0.161
local terms energy: -80.780061
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -209.271853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.271853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.271853 (E_RNA)
where:
Base-Base interactions energy: -132.133
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.173
local terms energy: -76.965775
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -15.874
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: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -180.343502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.343502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.343502 (E_RNA)
where:
Base-Base interactions energy: -111.462
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.274
local terms energy: -68.607756
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -167.999227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.999227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.999227 (E_RNA)
where:
Base-Base interactions energy: -98.266
where: short stacking energy: -57.168
Base-Backbone interact. energy: -0.027
local terms energy: -69.706387
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -115.733798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.733798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.733798 (E_RNA)
where:
Base-Base interactions energy: -62.179
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.311
local terms energy: -53.244152
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -92.137658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.137658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.137658 (E_RNA)
where:
Base-Base interactions energy: -44.788
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.209
local terms energy: -47.140783
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: 0.921
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: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -107.392804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.392804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.392804 (E_RNA)
where:
Base-Base interactions energy: -39.851
where: short stacking energy: -26.303
Base-Backbone interact. energy: -0.435
local terms energy: -67.107359
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -79.264051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.264051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.264051 (E_RNA)
where:
Base-Base interactions energy: -25.270
where: short stacking energy: -21.156
Base-Backbone interact. energy: -0.438
local terms energy: -53.555963
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -12.211
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: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -75.121613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.121613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.121613 (E_RNA)
where:
Base-Base interactions energy: -31.712
where: short stacking energy: -28.270
Base-Backbone interact. energy: 0.765
local terms energy: -44.174207
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -5.208
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -232.426700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.426700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.426700 (E_RNA)
where:
Base-Base interactions energy: -162.200
where: short stacking energy: -74.969
Base-Backbone interact. energy: -0.239
local terms energy: -69.987506
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -10.247
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: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -237.041755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.041755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.041755 (E_RNA)
where:
Base-Base interactions energy: -157.417
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.116
local terms energy: -79.509309
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -195.249944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.249944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.249944 (E_RNA)
where:
Base-Base interactions energy: -119.235
where: short stacking energy: -61.925
Base-Backbone interact. energy: -0.629
local terms energy: -75.386036
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -184.434196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.434196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.434196 (E_RNA)
where:
Base-Base interactions energy: -117.094
where: short stacking energy: -56.393
Base-Backbone interact. energy: -0.399
local terms energy: -66.940920
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -164.637284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.637284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.637284 (E_RNA)
where:
Base-Base interactions energy: -101.228
where: short stacking energy: -51.576
Base-Backbone interact. energy: -0.164
local terms energy: -63.245284
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -9.776
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: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -116.792319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.792319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.792319 (E_RNA)
where:
Base-Base interactions energy: -54.643
where: short stacking energy: -54.643
Base-Backbone interact. energy: 0.018
local terms energy: -62.167172
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -99.852559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.852559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.852559 (E_RNA)
where:
Base-Base interactions energy: -37.055
where: short stacking energy: -36.953
Base-Backbone interact. energy: -0.204
local terms energy: -62.593675
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -8.630
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: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -139.113129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.113129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.113129 (E_RNA)
where:
Base-Base interactions energy: -79.797
where: short stacking energy: -42.095
Base-Backbone interact. energy: -0.133
local terms energy: -59.182506
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -92.873809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.873809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.873809 (E_RNA)
where:
Base-Base interactions energy: -35.446
where: short stacking energy: -33.189
Base-Backbone interact. energy: -0.655
local terms energy: -56.773457
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -87.464172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.464172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.464172 (E_RNA)
where:
Base-Base interactions energy: -43.984
where: short stacking energy: -30.414
Base-Backbone interact. energy: -0.173
local terms energy: -43.307221
where:
bonds (distance) C4'-P energy: -3.705
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -247.040098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.040098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.040098 (E_RNA)
where:
Base-Base interactions energy: -177.106
where: short stacking energy: -72.495
Base-Backbone interact. energy: -0.449
local terms energy: -69.485892
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -6.227
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: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -247.711030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.711030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.711030 (E_RNA)
where:
Base-Base interactions energy: -170.281
where: short stacking energy: -70.067
Base-Backbone interact. energy: 1.826
local terms energy: -79.255944
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -193.048525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.048525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.048525 (E_RNA)
where:
Base-Base interactions energy: -123.908
where: short stacking energy: -48.702
Base-Backbone interact. energy: -0.617
local terms energy: -68.523109
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -199.951416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.951416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.951416 (E_RNA)
where:
Base-Base interactions energy: -125.448
where: short stacking energy: -57.971
Base-Backbone interact. energy: -0.106
local terms energy: -74.397020
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -152.700378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.700378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.700378 (E_RNA)
where:
Base-Base interactions energy: -92.625
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.100
local terms energy: -59.975265
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -8.456
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: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -114.439637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.439637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.439637 (E_RNA)
where:
Base-Base interactions energy: -57.192
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.196
local terms energy: -57.051678
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -108.912830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.912830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.912830 (E_RNA)
where:
Base-Base interactions energy: -52.710
where: short stacking energy: -41.133
Base-Backbone interact. energy: -0.392
local terms energy: -55.811246
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -148.680439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.680439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.680439 (E_RNA)
where:
Base-Base interactions energy: -88.608
where: short stacking energy: -37.848
Base-Backbone interact. energy: -0.144
local terms energy: -59.928405
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -13.039
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: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -92.116952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.116952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.116952 (E_RNA)
where:
Base-Base interactions energy: -26.616
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.183
local terms energy: -65.317773
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -88.553151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.553151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.553151 (E_RNA)
where:
Base-Base interactions energy: -39.636
where: short stacking energy: -37.648
Base-Backbone interact. energy: -0.186
local terms energy: -48.730778
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -252.363244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.363244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.363244 (E_RNA)
where:
Base-Base interactions energy: -172.172
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.737
local terms energy: -79.453929
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -253.438518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.438518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.438518 (E_RNA)
where:
Base-Base interactions energy: -177.442
where: short stacking energy: -64.959
Base-Backbone interact. energy: 0.442
local terms energy: -76.439020
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -222.551329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.551329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.551329 (E_RNA)
where:
Base-Base interactions energy: -141.290
where: short stacking energy: -72.982
Base-Backbone interact. energy: -0.133
local terms energy: -81.128055
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -13.043
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -200.307560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.307560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.307560 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -73.767
Base-Backbone interact. energy: -0.083
local terms energy: -78.823180
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -22.897
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: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -161.096277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.096277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.096277 (E_RNA)
where:
Base-Base interactions energy: -102.889
where: short stacking energy: -30.425
Base-Backbone interact. energy: 0.677
local terms energy: -58.884748
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.052
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: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -106.908151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.908151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.908151 (E_RNA)
where:
Base-Base interactions energy: -60.521
where: short stacking energy: -24.969
Base-Backbone interact. energy: -0.793
local terms energy: -45.594706
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: 0.903
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: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -153.647636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.647636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.647636 (E_RNA)
where:
Base-Base interactions energy: -88.926
where: short stacking energy: -53.043
Base-Backbone interact. energy: -0.690
local terms energy: -64.031483
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -10.577
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: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -105.398843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.398843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.398843 (E_RNA)
where:
Base-Base interactions energy: -43.573
where: short stacking energy: -42.406
Base-Backbone interact. energy: -0.048
local terms energy: -61.778411
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -12.866
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: 344
Temperature: 1.300000
Total energy: -88.993081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.993081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.993081 (E_RNA)
where:
Base-Base interactions energy: -34.628
where: short stacking energy: -34.983
Base-Backbone interact. energy: -0.161
local terms energy: -54.204476
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -80.421096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.421096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.421096 (E_RNA)
where:
Base-Base interactions energy: -28.950
where: short stacking energy: -21.509
Base-Backbone interact. energy: -0.234
local terms energy: -51.237394
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -249.171415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.171415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.171415 (E_RNA)
where:
Base-Base interactions energy: -168.090
where: short stacking energy: -70.280
Base-Backbone interact. energy: 0.261
local terms energy: -81.342617
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -9.073
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: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -252.026217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.026217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.026217 (E_RNA)
where:
Base-Base interactions energy: -171.591
where: short stacking energy: -71.332
Base-Backbone interact. energy: -0.354
local terms energy: -80.081114
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -218.125970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.125970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.125970 (E_RNA)
where:
Base-Base interactions energy: -144.960
where: short stacking energy: -67.124
Base-Backbone interact. energy: -0.077
local terms energy: -73.088897
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -221.840390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.840390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.840390 (E_RNA)
where:
Base-Base interactions energy: -139.371
where: short stacking energy: -78.075
Base-Backbone interact. energy: -0.030
local terms energy: -82.439740
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -24.680
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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -157.522029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.522029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.522029 (E_RNA)
where:
Base-Base interactions energy: -92.248
where: short stacking energy: -45.064
Base-Backbone interact. energy: -0.452
local terms energy: -64.821900
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -12.580
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: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -156.789647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.789647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.789647 (E_RNA)
where:
Base-Base interactions energy: -89.783
where: short stacking energy: -46.848
Base-Backbone interact. energy: -0.326
local terms energy: -66.680075
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -11.237
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: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -106.101786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.101786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.101786 (E_RNA)
where:
Base-Base interactions energy: -46.692
where: short stacking energy: -46.692
Base-Backbone interact. energy: -0.228
local terms energy: -59.181386
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -87.111838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.111838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.111838 (E_RNA)
where:
Base-Base interactions energy: -31.086
where: short stacking energy: -26.224
Base-Backbone interact. energy: 0.853
local terms energy: -56.878854
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -86.610082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.610082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.610082 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -27.394
Base-Backbone interact. energy: -0.034
local terms energy: -58.519055
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -100.160454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.160454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.160454 (E_RNA)
where:
Base-Base interactions energy: -33.265
where: short stacking energy: -33.265
Base-Backbone interact. energy: 0.011
local terms energy: -66.906870
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -257.505718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.505718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.505718 (E_RNA)
where:
Base-Base interactions energy: -176.550
where: short stacking energy: -73.228
Base-Backbone interact. energy: 0.509
local terms energy: -81.464608
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -251.663545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.663545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.663545 (E_RNA)
where:
Base-Base interactions energy: -176.943
where: short stacking energy: -73.487
Base-Backbone interact. energy: -1.138
local terms energy: -73.582722
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -219.099743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.099743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.099743 (E_RNA)
where:
Base-Base interactions energy: -140.952
where: short stacking energy: -84.051
Base-Backbone interact. energy: -0.115
local terms energy: -78.032739
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -24.126
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: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -203.981787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.981787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.981787 (E_RNA)
where:
Base-Base interactions energy: -127.871
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.012
local terms energy: -76.098225
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.246
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: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -186.693848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.693848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.693848 (E_RNA)
where:
Base-Base interactions energy: -116.244
where: short stacking energy: -62.700
Base-Backbone interact. energy: -0.175
local terms energy: -70.274649
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -171.389454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.389454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.389454 (E_RNA)
where:
Base-Base interactions energy: -97.892
where: short stacking energy: -58.080
Base-Backbone interact. energy: -0.012
local terms energy: -73.485202
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -109.065180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.065180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.065180 (E_RNA)
where:
Base-Base interactions energy: -51.913
where: short stacking energy: -34.015
Base-Backbone interact. energy: -1.666
local terms energy: -55.485751
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -11.206
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: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -91.732840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.732840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.732840 (E_RNA)
where:
Base-Base interactions energy: -28.968
where: short stacking energy: -28.968
Base-Backbone interact. energy: -0.609
local terms energy: -62.155856
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -96.099853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.099853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.099853 (E_RNA)
where:
Base-Base interactions energy: -51.611
where: short stacking energy: -21.836
Base-Backbone interact. energy: -0.158
local terms energy: -44.331593
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: 2.782
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: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -86.902948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.902948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.902948 (E_RNA)
where:
Base-Base interactions energy: -39.108
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.089
local terms energy: -47.706297
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -244.413931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.413931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.413931 (E_RNA)
where:
Base-Base interactions energy: -168.668
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.219
local terms energy: -75.526805
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -226.557773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.557773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.557773 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -81.632
Base-Backbone interact. energy: -0.382
local terms energy: -83.609131
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -24.341
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: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -233.329315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.329315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.329315 (E_RNA)
where:
Base-Base interactions energy: -150.920
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.097
local terms energy: -82.312312
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -21.063
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: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -185.854384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.854384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.854384 (E_RNA)
where:
Base-Base interactions energy: -125.262
where: short stacking energy: -51.034
Base-Backbone interact. energy: -0.135
local terms energy: -60.457795
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -197.629360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.629360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.629360 (E_RNA)
where:
Base-Base interactions energy: -141.855
where: short stacking energy: -51.352
Base-Backbone interact. energy: 3.501
local terms energy: -59.275079
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -133.793311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.793311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.793311 (E_RNA)
where:
Base-Base interactions energy: -62.113
where: short stacking energy: -42.465
Base-Backbone interact. energy: -0.431
local terms energy: -71.248754
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -176.234605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.234605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.234605 (E_RNA)
where:
Base-Base interactions energy: -104.861
where: short stacking energy: -62.910
Base-Backbone interact. energy: -1.516
local terms energy: -69.857514
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -4.135
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: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -94.143376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.143376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.143376 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -24.076
Base-Backbone interact. energy: 0.263
local terms energy: -54.681460
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -1.150
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: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -93.842411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842411 (E_RNA)
where:
Base-Base interactions energy: -41.001
where: short stacking energy: -39.698
Base-Backbone interact. energy: -0.025
local terms energy: -52.816475
where:
bonds (distance) C4'-P energy: -7.820
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -80.415241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.415241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.415241 (E_RNA)
where:
Base-Base interactions energy: -30.423
where: short stacking energy: -30.523
Base-Backbone interact. energy: -0.180
local terms energy: -49.812832
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -244.807807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.807807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.807807 (E_RNA)
where:
Base-Base interactions energy: -160.370
where: short stacking energy: -69.889
Base-Backbone interact. energy: -0.140
local terms energy: -84.297446
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -223.437213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.437213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.437213 (E_RNA)
where:
Base-Base interactions energy: -143.821
where: short stacking energy: -77.560
Base-Backbone interact. energy: -0.001
local terms energy: -79.615005
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -20.322
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: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -241.036181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.036181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.036181 (E_RNA)
where:
Base-Base interactions energy: -167.659
where: short stacking energy: -59.983
Base-Backbone interact. energy: -0.693
local terms energy: -72.684364
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -11.706
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: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -209.013403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.013403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.013403 (E_RNA)
where:
Base-Base interactions energy: -131.955
where: short stacking energy: -65.352
Base-Backbone interact. energy: -0.186
local terms energy: -76.872565
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -192.142491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.142491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.142491 (E_RNA)
where:
Base-Base interactions energy: -127.553
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.153
local terms energy: -64.436952
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -7.316
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -144.226690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.226690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.226690 (E_RNA)
where:
Base-Base interactions energy: -81.749
where: short stacking energy: -33.188
Base-Backbone interact. energy: -0.008
local terms energy: -62.469557
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -110.744352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.744352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.744352 (E_RNA)
where:
Base-Base interactions energy: -62.176
where: short stacking energy: -29.454
Base-Backbone interact. energy: -0.483
local terms energy: -48.086217
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -5.805
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: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -158.571985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.571985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.571985 (E_RNA)
where:
Base-Base interactions energy: -98.052
where: short stacking energy: -57.021
Base-Backbone interact. energy: -0.024
local terms energy: -60.496785
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -92.635915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.635915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.635915 (E_RNA)
where:
Base-Base interactions energy: -38.017
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.142
local terms energy: -54.477050
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -83.995856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.995856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.995856 (E_RNA)
where:
Base-Base interactions energy: -26.346
where: short stacking energy: -25.002
Base-Backbone interact. energy: -0.117
local terms energy: -57.532682
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: 0.752
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: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -249.892243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.892243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.892243 (E_RNA)
where:
Base-Base interactions energy: -163.189
where: short stacking energy: -70.144
Base-Backbone interact. energy: -0.602
local terms energy: -86.101081
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -15.561
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: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -256.513171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.513171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.513171 (E_RNA)
where:
Base-Base interactions energy: -178.206
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.943
local terms energy: -77.364276
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -210.466002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.466002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.466002 (E_RNA)
where:
Base-Base interactions energy: -134.709
where: short stacking energy: -65.375
Base-Backbone interact. energy: -0.029
local terms energy: -75.728082
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -194.224174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.224174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.224174 (E_RNA)
where:
Base-Base interactions energy: -114.261
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.025
local terms energy: -79.938914
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -194.963362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.963362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.963362 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -63.528
Base-Backbone interact. energy: -0.925
local terms energy: -77.344189
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -117.954879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.954879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.954879 (E_RNA)
where:
Base-Base interactions energy: -54.020
where: short stacking energy: -41.343
Base-Backbone interact. energy: -0.094
local terms energy: -63.841640
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -139.970596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.970596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.970596 (E_RNA)
where:
Base-Base interactions energy: -82.599
where: short stacking energy: -43.079
Base-Backbone interact. energy: -0.163
local terms energy: -57.208351
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -8.260
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: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -136.601833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.601833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.601833 (E_RNA)
where:
Base-Base interactions energy: -77.185
where: short stacking energy: -45.603
Base-Backbone interact. energy: -0.348
local terms energy: -59.068373
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -86.883178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.883178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.883178 (E_RNA)
where:
Base-Base interactions energy: -30.609
where: short stacking energy: -29.021
Base-Backbone interact. energy: 1.351
local terms energy: -57.625596
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -86.264432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.264432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.264432 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -34.016
Base-Backbone interact. energy: 1.913
local terms energy: -53.103539
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -6.779
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: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -248.030823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.030823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.030823 (E_RNA)
where:
Base-Base interactions energy: -169.413
where: short stacking energy: -69.196
Base-Backbone interact. energy: -0.236
local terms energy: -78.381402
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -245.768722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.768722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.768722 (E_RNA)
where:
Base-Base interactions energy: -169.422
where: short stacking energy: -69.601
Base-Backbone interact. energy: -0.070
local terms energy: -76.276725
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -19.275
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -216.342364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342364 (E_RNA)
where:
Base-Base interactions energy: -142.892
where: short stacking energy: -72.546
Base-Backbone interact. energy: -0.342
local terms energy: -73.108671
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -189.668860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.668860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.668860 (E_RNA)
where:
Base-Base interactions energy: -118.060
where: short stacking energy: -69.362
Base-Backbone interact. energy: -0.016
local terms energy: -71.591917
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -15.915
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: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -189.667327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.667327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.667327 (E_RNA)
where:
Base-Base interactions energy: -120.930
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.086
local terms energy: -68.651291
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -101.507388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.507388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.507388 (E_RNA)
where:
Base-Base interactions energy: -34.215
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.392
local terms energy: -66.900256
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -86.031194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.031194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.031194 (E_RNA)
where:
Base-Base interactions energy: -28.868
where: short stacking energy: -24.544
Base-Backbone interact. energy: -0.140
local terms energy: -57.022657
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -111.286957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.286957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.286957 (E_RNA)
where:
Base-Base interactions energy: -55.150
where: short stacking energy: -34.518
Base-Backbone interact. energy: -0.033
local terms energy: -56.103612
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -87.778425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.778425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.778425 (E_RNA)
where:
Base-Base interactions energy: -37.630
where: short stacking energy: -23.553
Base-Backbone interact. energy: -0.248
local terms energy: -49.899935
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -4.632
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: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -100.291630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.291630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.291630 (E_RNA)
where:
Base-Base interactions energy: -46.585
where: short stacking energy: -31.527
Base-Backbone interact. energy: 1.287
local terms energy: -54.993704
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -244.979933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.979933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.979933 (E_RNA)
where:
Base-Base interactions energy: -170.021
where: short stacking energy: -68.344
Base-Backbone interact. energy: -0.446
local terms energy: -74.512889
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -14.071
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: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -249.082638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.082638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.082638 (E_RNA)
where:
Base-Base interactions energy: -173.437
where: short stacking energy: -79.542
Base-Backbone interact. energy: -0.140
local terms energy: -75.505940
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -21.696
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: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -195.936373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.936373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.936373 (E_RNA)
where:
Base-Base interactions energy: -121.692
where: short stacking energy: -65.308
Base-Backbone interact. energy: -0.005
local terms energy: -74.239636
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -20.792
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: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -211.115942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.115942 (E_RNA)
where:
Base-Base interactions energy: -139.344
where: short stacking energy: -69.106
Base-Backbone interact. energy: -0.078
local terms energy: -71.694256
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -197.437029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.437029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.437029 (E_RNA)
where:
Base-Base interactions energy: -129.427
where: short stacking energy: -66.716
Base-Backbone interact. energy: -0.019
local terms energy: -67.990367
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -109.379064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.379064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.379064 (E_RNA)
where:
Base-Base interactions energy: -48.776
where: short stacking energy: -46.487
Base-Backbone interact. energy: -0.676
local terms energy: -59.927484
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -9.836
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: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -108.391268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.391268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.391268 (E_RNA)
where:
Base-Base interactions energy: -49.446
where: short stacking energy: -39.917
Base-Backbone interact. energy: 1.784
local terms energy: -60.728736
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -96.153068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.153068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.153068 (E_RNA)
where:
Base-Base interactions energy: -49.504
where: short stacking energy: -42.757
Base-Backbone interact. energy: -1.023
local terms energy: -45.625859
where:
bonds (distance) C4'-P energy: -7.973
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -82.706138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.706138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.706138 (E_RNA)
where:
Base-Base interactions energy: -37.618
where: short stacking energy: -22.621
Base-Backbone interact. energy: -0.733
local terms energy: -44.355239
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -7.095
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: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -93.642594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.642594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.642594 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -36.045
Base-Backbone interact. energy: -0.131
local terms energy: -56.596999
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -239.955401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.955401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.955401 (E_RNA)
where:
Base-Base interactions energy: -162.454
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.390
local terms energy: -77.112074
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -240.095355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.095355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.095355 (E_RNA)
where:
Base-Base interactions energy: -159.976
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.162
local terms energy: -79.956783
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -17.120
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: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -209.514167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.514167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.514167 (E_RNA)
where:
Base-Base interactions energy: -131.613
where: short stacking energy: -70.721
Base-Backbone interact. energy: -0.102
local terms energy: -77.799347
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -11.531
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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -187.313350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.313350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.313350 (E_RNA)
where:
Base-Base interactions energy: -116.017
where: short stacking energy: -57.930
Base-Backbone interact. energy: -0.498
local terms energy: -70.798952
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -16.171
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: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -193.790785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.790785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.790785 (E_RNA)
where:
Base-Base interactions energy: -121.982
where: short stacking energy: -62.033
Base-Backbone interact. energy: 0.201
local terms energy: -72.009459
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -97.215118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.215118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.215118 (E_RNA)
where:
Base-Base interactions energy: -49.819
where: short stacking energy: -43.444
Base-Backbone interact. energy: -0.815
local terms energy: -46.580587
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -114.523593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.523593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.523593 (E_RNA)
where:
Base-Base interactions energy: -51.096
where: short stacking energy: -41.983
Base-Backbone interact. energy: 0.769
local terms energy: -64.197322
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -90.303186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.303186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.303186 (E_RNA)
where:
Base-Base interactions energy: -38.672
where: short stacking energy: -26.583
Base-Backbone interact. energy: -0.222
local terms energy: -51.408880
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -94.032612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.032612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.032612 (E_RNA)
where:
Base-Base interactions energy: -43.374
where: short stacking energy: -32.164
Base-Backbone interact. energy: -0.140
local terms energy: -50.517754
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -87.991384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.991384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.991384 (E_RNA)
where:
Base-Base interactions energy: -42.121
where: short stacking energy: -28.061
Base-Backbone interact. energy: -0.623
local terms energy: -45.247487
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -244.179579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.179579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.179579 (E_RNA)
where:
Base-Base interactions energy: -158.983
where: short stacking energy: -79.429
Base-Backbone interact. energy: -0.375
local terms energy: -84.821993
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -244.166531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.166531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.166531 (E_RNA)
where:
Base-Base interactions energy: -173.403
where: short stacking energy: -69.691
Base-Backbone interact. energy: -0.219
local terms energy: -70.544778
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -9.462
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: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -214.058211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.058211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.058211 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -72.654
Base-Backbone interact. energy: -0.763
local terms energy: -74.078007
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -190.783191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.783191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.783191 (E_RNA)
where:
Base-Base interactions energy: -114.767
where: short stacking energy: -69.677
Base-Backbone interact. energy: -0.139
local terms energy: -75.877936
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -183.210186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.210186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.210186 (E_RNA)
where:
Base-Base interactions energy: -105.220
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.499
local terms energy: -77.491561
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -107.395617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.395617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.395617 (E_RNA)
where:
Base-Base interactions energy: -51.789
where: short stacking energy: -35.813
Base-Backbone interact. energy: -0.075
local terms energy: -55.532295
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -100.986969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.986969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.986969 (E_RNA)
where:
Base-Base interactions energy: -51.492
where: short stacking energy: -31.237
Base-Backbone interact. energy: -0.152
local terms energy: -49.343709
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -92.911215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.911215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.911215 (E_RNA)
where:
Base-Base interactions energy: -42.884
where: short stacking energy: -33.925
Base-Backbone interact. energy: 0.687
local terms energy: -50.713804
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -0.941
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: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -88.186865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.186865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.186865 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -24.407
Base-Backbone interact. energy: -0.248
local terms energy: -49.403789
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -94.721119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.721119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.721119 (E_RNA)
where:
Base-Base interactions energy: -39.477
where: short stacking energy: -39.477
Base-Backbone interact. energy: -0.146
local terms energy: -55.098271
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -1.302
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -261.339635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.339635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.339635 (E_RNA)
where:
Base-Base interactions energy: -188.059
where: short stacking energy: -59.388
Base-Backbone interact. energy: -0.566
local terms energy: -72.714444
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -238.671643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.671643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.671643 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -60.740
Base-Backbone interact. energy: 0.004
local terms energy: -82.649193
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -207.233224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.233224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.233224 (E_RNA)
where:
Base-Base interactions energy: -122.846
where: short stacking energy: -64.808
Base-Backbone interact. energy: -0.169
local terms energy: -84.217851
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -200.388348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.388348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.388348 (E_RNA)
where:
Base-Base interactions energy: -130.173
where: short stacking energy: -55.661
Base-Backbone interact. energy: 0.740
local terms energy: -70.954539
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -170.338137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.338137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.338137 (E_RNA)
where:
Base-Base interactions energy: -108.982
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.468
local terms energy: -60.888594
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -141.786958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.786958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.786958 (E_RNA)
where:
Base-Base interactions energy: -81.338
where: short stacking energy: -45.290
Base-Backbone interact. energy: -0.169
local terms energy: -60.280151
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.510
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: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -95.714754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.714754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.714754 (E_RNA)
where:
Base-Base interactions energy: -40.476
where: short stacking energy: -37.371
Base-Backbone interact. energy: -0.094
local terms energy: -55.144186
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -88.671830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.671830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.671830 (E_RNA)
where:
Base-Base interactions energy: -36.558
where: short stacking energy: -36.558
Base-Backbone interact. energy: -0.013
local terms energy: -52.100754
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -91.201233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.201233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.201233 (E_RNA)
where:
Base-Base interactions energy: -41.040
where: short stacking energy: -41.040
Base-Backbone interact. energy: -0.384
local terms energy: -49.776860
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -87.372182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.372182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.372182 (E_RNA)
where:
Base-Base interactions energy: -34.649
where: short stacking energy: -32.777
Base-Backbone interact. energy: -1.211
local terms energy: -51.512301
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -5.710
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -267.110876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.110876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.110876 (E_RNA)
where:
Base-Base interactions energy: -196.538
where: short stacking energy: -63.189
Base-Backbone interact. energy: -1.346
local terms energy: -69.226869
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -239.367891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.367891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.367891 (E_RNA)
where:
Base-Base interactions energy: -157.445
where: short stacking energy: -77.011
Base-Backbone interact. energy: -0.512
local terms energy: -81.410931
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -21.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -211.412169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.412169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.412169 (E_RNA)
where:
Base-Base interactions energy: -132.388
where: short stacking energy: -73.375
Base-Backbone interact. energy: -0.002
local terms energy: -79.021764
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -14.109
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: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -195.205011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.205011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.205011 (E_RNA)
where:
Base-Base interactions energy: -118.740
where: short stacking energy: -74.348
Base-Backbone interact. energy: -0.039
local terms energy: -76.425913
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -194.073321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.073321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.073321 (E_RNA)
where:
Base-Base interactions energy: -128.853
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.967
local terms energy: -64.253451
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -106.745055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.745055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.745055 (E_RNA)
where:
Base-Base interactions energy: -60.121
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.177
local terms energy: -46.447028
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -107.705754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.705754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.705754 (E_RNA)
where:
Base-Base interactions energy: -45.942
where: short stacking energy: -37.783
Base-Backbone interact. energy: 1.177
local terms energy: -62.940321
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -9.532
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: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -91.220618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.220618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.220618 (E_RNA)
where:
Base-Base interactions energy: -32.536
where: short stacking energy: -32.104
Base-Backbone interact. energy: -0.148
local terms energy: -58.537093
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -86.356234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.356234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.356234 (E_RNA)
where:
Base-Base interactions energy: -31.461
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.033
local terms energy: -54.862515
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -135.265514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.265514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.265514 (E_RNA)
where:
Base-Base interactions energy: -71.317
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.372
local terms energy: -63.576089
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -10.766
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -238.184276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.184276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.184276 (E_RNA)
where:
Base-Base interactions energy: -161.131
where: short stacking energy: -76.020
Base-Backbone interact. energy: -0.279
local terms energy: -76.773707
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -256.333922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.333922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.333922 (E_RNA)
where:
Base-Base interactions energy: -183.518
where: short stacking energy: -71.668
Base-Backbone interact. energy: -0.480
local terms energy: -72.336268
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -217.586524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.586524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.586524 (E_RNA)
where:
Base-Base interactions energy: -133.002
where: short stacking energy: -74.566
Base-Backbone interact. energy: -0.232
local terms energy: -84.352122
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -22.089
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: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -213.255309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.255309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.255309 (E_RNA)
where:
Base-Base interactions energy: -138.160
where: short stacking energy: -55.585
Base-Backbone interact. energy: -0.470
local terms energy: -74.624976
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -203.158242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.158242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.158242 (E_RNA)
where:
Base-Base interactions energy: -136.086
where: short stacking energy: -77.172
Base-Backbone interact. energy: -0.260
local terms energy: -66.812199
where:
bonds (distance) C4'-P energy: -7.295
bonds (distance) P-C4' energy: -8.875
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -23.381
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: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -104.026237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.026237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.026237 (E_RNA)
where:
Base-Base interactions energy: -56.078
where: short stacking energy: -20.512
Base-Backbone interact. energy: -0.849
local terms energy: -47.099173
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: 2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -96.901938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.901938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.901938 (E_RNA)
where:
Base-Base interactions energy: -45.005
where: short stacking energy: -42.550
Base-Backbone interact. energy: -0.462
local terms energy: -51.435323
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -3.730
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: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -88.170690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.170690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.170690 (E_RNA)
where:
Base-Base interactions energy: -38.546
where: short stacking energy: -26.143
Base-Backbone interact. energy: -0.919
local terms energy: -48.705470
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -0.921
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: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -150.100293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.100293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.100293 (E_RNA)
where:
Base-Base interactions energy: -90.440
where: short stacking energy: -37.377
Base-Backbone interact. energy: -0.316
local terms energy: -59.344223
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -4.290
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: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -78.713953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.713953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.713953 (E_RNA)
where:
Base-Base interactions energy: -26.711
where: short stacking energy: -22.494
Base-Backbone interact. energy: -0.104
local terms energy: -51.898496
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: 2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -244.858707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.858707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.858707 (E_RNA)
where:
Base-Base interactions energy: -162.578
where: short stacking energy: -79.268
Base-Backbone interact. energy: -0.743
local terms energy: -81.538400
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -10.657
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: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -245.316001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.316001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.316001 (E_RNA)
where:
Base-Base interactions energy: -174.053
where: short stacking energy: -65.692
Base-Backbone interact. energy: -0.156
local terms energy: -71.106378
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -203.657588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.657588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.657588 (E_RNA)
where:
Base-Base interactions energy: -125.500
where: short stacking energy: -60.542
Base-Backbone interact. energy: -0.078
local terms energy: -78.078976
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -215.074998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.074998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.074998 (E_RNA)
where:
Base-Base interactions energy: -135.308
where: short stacking energy: -74.955
Base-Backbone interact. energy: -0.104
local terms energy: -79.663338
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -23.352
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: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -210.579505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.579505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.579505 (E_RNA)
where:
Base-Base interactions energy: -130.979
where: short stacking energy: -61.124
Base-Backbone interact. energy: -0.119
local terms energy: -79.481474
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -101.976745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.976745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.976745 (E_RNA)
where:
Base-Base interactions energy: -41.244
where: short stacking energy: -41.244
Base-Backbone interact. energy: 0.332
local terms energy: -61.064902
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -102.661002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.661002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.661002 (E_RNA)
where:
Base-Base interactions energy: -50.162
where: short stacking energy: -33.384
Base-Backbone interact. energy: -1.475
local terms energy: -51.024114
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -98.424206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.424206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.424206 (E_RNA)
where:
Base-Base interactions energy: -45.409
where: short stacking energy: -38.467
Base-Backbone interact. energy: 0.254
local terms energy: -53.268715
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -82.430763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.430763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.430763 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -25.584
Base-Backbone interact. energy: 0.916
local terms energy: -55.116429
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -84.841020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841020 (E_RNA)
where:
Base-Base interactions energy: -29.908
where: short stacking energy: -22.088
Base-Backbone interact. energy: -0.774
local terms energy: -54.159931
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.139
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: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -249.959360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.959360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.959360 (E_RNA)
where:
Base-Base interactions energy: -176.270
where: short stacking energy: -67.276
Base-Backbone interact. energy: -0.356
local terms energy: -73.333547
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -241.854286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.854286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.854286 (E_RNA)
where:
Base-Base interactions energy: -162.801
where: short stacking energy: -74.699
Base-Backbone interact. energy: -0.142
local terms energy: -78.911614
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -12.130
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: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -212.595597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.595597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.595597 (E_RNA)
where:
Base-Base interactions energy: -130.575
where: short stacking energy: -72.163
Base-Backbone interact. energy: -0.050
local terms energy: -81.969885
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.403
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: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -194.416756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.416756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.416756 (E_RNA)
where:
Base-Base interactions energy: -116.052
where: short stacking energy: -54.549
Base-Backbone interact. energy: -0.282
local terms energy: -78.083307
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -195.156685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.156685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.156685 (E_RNA)
where:
Base-Base interactions energy: -129.161
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.022
local terms energy: -65.973236
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -106.653926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.653926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.653926 (E_RNA)
where:
Base-Base interactions energy: -49.285
where: short stacking energy: -44.637
Base-Backbone interact. energy: -0.023
local terms energy: -57.345602
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -96.932924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.932924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.932924 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.475
local terms energy: -60.601511
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -10.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -96.302062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.302062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.302062 (E_RNA)
where:
Base-Base interactions energy: -53.759
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.146
local terms energy: -42.396578
where:
bonds (distance) C4'-P energy: -6.900
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -2.628
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: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -85.995131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.995131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.995131 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -26.156
Base-Backbone interact. energy: -0.557
local terms energy: -56.297664
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -82.537292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.537292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.537292 (E_RNA)
where:
Base-Base interactions energy: -38.557
where: short stacking energy: -33.319
Base-Backbone interact. energy: -0.127
local terms energy: -43.853477
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -1.133
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: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -254.762027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.762027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.762027 (E_RNA)
where:
Base-Base interactions energy: -181.762
where: short stacking energy: -69.087
Base-Backbone interact. energy: 0.072
local terms energy: -73.072075
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -14.479
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: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -239.523400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.523400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.523400 (E_RNA)
where:
Base-Base interactions energy: -163.840
where: short stacking energy: -76.558
Base-Backbone interact. energy: -1.772
local terms energy: -73.911362
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -187.850294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.850294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.850294 (E_RNA)
where:
Base-Base interactions energy: -118.072
where: short stacking energy: -67.704
Base-Backbone interact. energy: -0.613
local terms energy: -69.165199
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -211.386787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.386787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.386787 (E_RNA)
where:
Base-Base interactions energy: -132.596
where: short stacking energy: -71.070
Base-Backbone interact. energy: -0.065
local terms energy: -78.726313
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -18.083
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: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -189.554995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.554995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.554995 (E_RNA)
where:
Base-Base interactions energy: -119.449
where: short stacking energy: -59.248
Base-Backbone interact. energy: 0.545
local terms energy: -70.650500
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -143.061060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.061060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.061060 (E_RNA)
where:
Base-Base interactions energy: -78.007
where: short stacking energy: -44.500
Base-Backbone interact. energy: -0.526
local terms energy: -64.528203
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -101.227209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.227209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.227209 (E_RNA)
where:
Base-Base interactions energy: -44.937
where: short stacking energy: -44.937
Base-Backbone interact. energy: -0.951
local terms energy: -55.338623
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -96.981666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.981666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.981666 (E_RNA)
where:
Base-Base interactions energy: -35.883
where: short stacking energy: -35.258
Base-Backbone interact. energy: 0.296
local terms energy: -61.394506
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -11.266
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: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -92.009624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.009624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.009624 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -29.472
Base-Backbone interact. energy: -2.624
local terms energy: -57.151981
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -92.617066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.617066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.617066 (E_RNA)
where:
Base-Base interactions energy: -38.464
where: short stacking energy: -34.744
Base-Backbone interact. energy: 0.376
local terms energy: -54.529890
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -4.600
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -9.041
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: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -252.823874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.823874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.823874 (E_RNA)
where:
Base-Base interactions energy: -175.152
where: short stacking energy: -74.635
Base-Backbone interact. energy: -0.784
local terms energy: -76.887386
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -244.150071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.150071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.150071 (E_RNA)
where:
Base-Base interactions energy: -168.788
where: short stacking energy: -71.951
Base-Backbone interact. energy: -0.345
local terms energy: -75.017561
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -214.765940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.765940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.765940 (E_RNA)
where:
Base-Base interactions energy: -135.180
where: short stacking energy: -68.920
Base-Backbone interact. energy: 0.993
local terms energy: -80.578955
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -195.495952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.495952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.495952 (E_RNA)
where:
Base-Base interactions energy: -117.281
where: short stacking energy: -64.829
Base-Backbone interact. energy: -0.064
local terms energy: -78.151009
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -19.611
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: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -195.147397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.147397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.147397 (E_RNA)
where:
Base-Base interactions energy: -128.335
where: short stacking energy: -61.286
Base-Backbone interact. energy: 0.606
local terms energy: -67.418312
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -155.349892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.349892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.349892 (E_RNA)
where:
Base-Base interactions energy: -81.626
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.098
local terms energy: -73.626594
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -13.846
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: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -103.114469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.114469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.114469 (E_RNA)
where:
Base-Base interactions energy: -46.970
where: short stacking energy: -41.336
Base-Backbone interact. energy: -0.005
local terms energy: -56.139809
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -96.027721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.027721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.027721 (E_RNA)
where:
Base-Base interactions energy: -44.756
where: short stacking energy: -31.105
Base-Backbone interact. energy: -0.218
local terms energy: -51.053871
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -2.326
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: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -87.343372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.343372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.343372 (E_RNA)
where:
Base-Base interactions energy: -30.871
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.014
local terms energy: -56.458713
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.620
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: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -86.495146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.495146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.495146 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -31.937
Base-Backbone interact. energy: -0.297
local terms energy: -52.298108
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -247.349490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.349490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.349490 (E_RNA)
where:
Base-Base interactions energy: -174.787
where: short stacking energy: -70.524
Base-Backbone interact. energy: -0.842
local terms energy: -71.720655
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -12.575
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: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -253.746542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.746542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.746542 (E_RNA)
where:
Base-Base interactions energy: -171.195
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.062
local terms energy: -82.489269
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -207.950814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.950814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.950814 (E_RNA)
where:
Base-Base interactions energy: -131.515
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.678
local terms energy: -75.757910
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -208.395809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.395809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.395809 (E_RNA)
where:
Base-Base interactions energy: -136.408
where: short stacking energy: -65.106
Base-Backbone interact. energy: 0.418
local terms energy: -72.405550
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -9.414
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: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -180.936247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.936247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.936247 (E_RNA)
where:
Base-Base interactions energy: -105.438
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.074
local terms energy: -75.424006
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -15.515
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: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -104.643098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.643098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.643098 (E_RNA)
where:
Base-Base interactions energy: -43.524
where: short stacking energy: -43.524
Base-Backbone interact. energy: -0.025
local terms energy: -61.094813
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -105.308897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.308897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.308897 (E_RNA)
where:
Base-Base interactions energy: -47.475
where: short stacking energy: -33.289
Base-Backbone interact. energy: 0.394
local terms energy: -58.228177
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -107.899953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.899953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.899953 (E_RNA)
where:
Base-Base interactions energy: -45.339
where: short stacking energy: -35.778
Base-Backbone interact. energy: 0.427
local terms energy: -62.987329
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -85.976431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.976431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.976431 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.466
local terms energy: -51.746023
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -90.677571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.677571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.677571 (E_RNA)
where:
Base-Base interactions energy: -35.787
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.071
local terms energy: -54.819336
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -252.347025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.347025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.347025 (E_RNA)
where:
Base-Base interactions energy: -176.729
where: short stacking energy: -72.144
Base-Backbone interact. energy: -0.218
local terms energy: -75.400381
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -248.450323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.450323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.450323 (E_RNA)
where:
Base-Base interactions energy: -169.235
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.085
local terms energy: -79.130100
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -197.714879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.714879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.714879 (E_RNA)
where:
Base-Base interactions energy: -124.763
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.024
local terms energy: -72.927748
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -202.514679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.514679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.514679 (E_RNA)
where:
Base-Base interactions energy: -129.082
where: short stacking energy: -65.738
Base-Backbone interact. energy: -0.968
local terms energy: -72.464905
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -187.805665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.805665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.805665 (E_RNA)
where:
Base-Base interactions energy: -115.086
where: short stacking energy: -57.949
Base-Backbone interact. energy: 0.461
local terms energy: -73.180341
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -103.394308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.394308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.394308 (E_RNA)
where:
Base-Base interactions energy: -46.387
where: short stacking energy: -32.851
Base-Backbone interact. energy: -0.377
local terms energy: -56.630789
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -7.735
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: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -106.186309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.186309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.186309 (E_RNA)
where:
Base-Base interactions energy: -53.164
where: short stacking energy: -41.219
Base-Backbone interact. energy: 1.171
local terms energy: -54.193363
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -6.737
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: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -85.170637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.170637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.170637 (E_RNA)
where:
Base-Base interactions energy: -26.832
where: short stacking energy: -24.387
Base-Backbone interact. energy: 0.407
local terms energy: -58.745583
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.945
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: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -97.426582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.426582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.426582 (E_RNA)
where:
Base-Base interactions energy: -51.985
where: short stacking energy: -34.538
Base-Backbone interact. energy: -0.066
local terms energy: -45.375743
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -80.177321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.177321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.177321 (E_RNA)
where:
Base-Base interactions energy: -33.264
where: short stacking energy: -17.197
Base-Backbone interact. energy: -0.370
local terms energy: -46.543289
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.442
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: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -260.294425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.294425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.294425 (E_RNA)
where:
Base-Base interactions energy: -177.795
where: short stacking energy: -73.244
Base-Backbone interact. energy: 0.292
local terms energy: -82.791023
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -10.506
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: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -240.977958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.977958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.977958 (E_RNA)
where:
Base-Base interactions energy: -161.727
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.238
local terms energy: -79.012538
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -212.107492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.107492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.107492 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -75.185
Base-Backbone interact. energy: -0.317
local terms energy: -72.999836
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -25.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -205.892705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.892705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.892705 (E_RNA)
where:
Base-Base interactions energy: -126.982
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.169
local terms energy: -78.741815
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -161.321555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.321555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.321555 (E_RNA)
where:
Base-Base interactions energy: -102.589
where: short stacking energy: -55.160
Base-Backbone interact. energy: -0.441
local terms energy: -58.292064
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -109.629440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.629440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.629440 (E_RNA)
where:
Base-Base interactions energy: -55.265
where: short stacking energy: -37.783
Base-Backbone interact. energy: -0.821
local terms energy: -53.543393
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -5.490
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: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -101.505968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.505968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.505968 (E_RNA)
where:
Base-Base interactions energy: -54.904
where: short stacking energy: -10.849
Base-Backbone interact. energy: 0.100
local terms energy: -46.702546
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: 3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -117.236854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.236854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.236854 (E_RNA)
where:
Base-Base interactions energy: -64.765
where: short stacking energy: -42.215
Base-Backbone interact. energy: 0.792
local terms energy: -53.264566
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -3.315
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: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -87.697114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.697114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.697114 (E_RNA)
where:
Base-Base interactions energy: -30.880
where: short stacking energy: -30.880
Base-Backbone interact. energy: -0.340
local terms energy: -56.477555
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -91.496845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.496845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.496845 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.045
local terms energy: -54.840019
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -253.619083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.619083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.619083 (E_RNA)
where:
Base-Base interactions energy: -173.256
where: short stacking energy: -70.654
Base-Backbone interact. energy: -0.028
local terms energy: -80.335096
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -236.745749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.745749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.745749 (E_RNA)
where:
Base-Base interactions energy: -158.069
where: short stacking energy: -67.458
Base-Backbone interact. energy: -0.459
local terms energy: -78.218087
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -211.174061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.174061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.174061 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -66.336
Base-Backbone interact. energy: -0.235
local terms energy: -71.002522
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -17.479
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -197.827914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.827914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.827914 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -66.508
Base-Backbone interact. energy: -0.080
local terms energy: -72.012954
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -17.257
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: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -150.643240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.643240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.643240 (E_RNA)
where:
Base-Base interactions energy: -79.117
where: short stacking energy: -51.398
Base-Backbone interact. energy: -0.193
local terms energy: -71.333633
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -164.510345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.510345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.510345 (E_RNA)
where:
Base-Base interactions energy: -93.926
where: short stacking energy: -58.785
Base-Backbone interact. energy: -0.499
local terms energy: -70.085386
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -12.262
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: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -96.678412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.678412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.678412 (E_RNA)
where:
Base-Base interactions energy: -45.526
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.154
local terms energy: -50.998531
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -10.327
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: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -91.425049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.425049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.425049 (E_RNA)
where:
Base-Base interactions energy: -40.014
where: short stacking energy: -40.014
Base-Backbone interact. energy: -0.110
local terms energy: -51.300281
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -8.715
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: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -94.294017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.294017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.294017 (E_RNA)
where:
Base-Base interactions energy: -59.786
where: short stacking energy: -24.253
Base-Backbone interact. energy: 1.461
local terms energy: -35.969120
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -3.065
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -78.842250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.842250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.842250 (E_RNA)
where:
Base-Base interactions energy: -24.480
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.254
local terms energy: -54.108462
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -260.102728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.102728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.102728 (E_RNA)
where:
Base-Base interactions energy: -182.654
where: short stacking energy: -76.584
Base-Backbone interact. energy: -0.484
local terms energy: -76.964505
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -223.706216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.706216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.706216 (E_RNA)
where:
Base-Base interactions energy: -147.718
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.000
local terms energy: -75.988099
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -21.686
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: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -234.728204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.728204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.728204 (E_RNA)
where:
Base-Base interactions energy: -164.871
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.274
local terms energy: -69.583611
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -12.297
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: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -203.141158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.141158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.141158 (E_RNA)
where:
Base-Base interactions energy: -124.052
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.003
local terms energy: -79.087007
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -127.592713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.592713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.592713 (E_RNA)
where:
Base-Base interactions energy: -62.123
where: short stacking energy: -35.334
Base-Backbone interact. energy: -2.087
local terms energy: -63.382494
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -6.866
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: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -167.987753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.987753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.987753 (E_RNA)
where:
Base-Base interactions energy: -99.608
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.077
local terms energy: -68.302380
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -95.882234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.882234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.882234 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -27.788
Base-Backbone interact. energy: -0.122
local terms energy: -55.058113
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -6.435
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: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -96.727573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.727573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.727573 (E_RNA)
where:
Base-Base interactions energy: -38.467
where: short stacking energy: -32.455
Base-Backbone interact. energy: -0.004
local terms energy: -58.256658
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -94.002459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.002459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.002459 (E_RNA)
where:
Base-Base interactions energy: -33.393
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.040
local terms energy: -60.569716
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -95.372786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.372786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.372786 (E_RNA)
where:
Base-Base interactions energy: -33.748
where: short stacking energy: -28.634
Base-Backbone interact. energy: -0.071
local terms energy: -61.553801
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -254.118498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.118498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.118498 (E_RNA)
where:
Base-Base interactions energy: -178.647
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.023
local terms energy: -75.448362
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -219.850779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.850779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.850779 (E_RNA)
where:
Base-Base interactions energy: -145.778
where: short stacking energy: -70.631
Base-Backbone interact. energy: 0.219
local terms energy: -74.291821
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -21.481
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: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -218.981664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.981664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.981664 (E_RNA)
where:
Base-Base interactions energy: -135.005
where: short stacking energy: -73.022
Base-Backbone interact. energy: -0.065
local terms energy: -83.911898
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -11.967
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: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -239.793443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.793443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.793443 (E_RNA)
where:
Base-Base interactions energy: -168.611
where: short stacking energy: -65.373
Base-Backbone interact. energy: -1.233
local terms energy: -69.948823
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -11.988
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: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -181.417379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.417379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.417379 (E_RNA)
where:
Base-Base interactions energy: -101.227
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.040
local terms energy: -80.150299
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -16.237
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: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -89.473345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.473345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.473345 (E_RNA)
where:
Base-Base interactions energy: -36.088
where: short stacking energy: -26.357
Base-Backbone interact. energy: 0.777
local terms energy: -54.162067
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -96.369912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369912 (E_RNA)
where:
Base-Base interactions energy: -34.585
where: short stacking energy: -32.097
Base-Backbone interact. energy: 0.046
local terms energy: -61.831323
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.425
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: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -91.953215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.953215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.953215 (E_RNA)
where:
Base-Base interactions energy: -39.293
where: short stacking energy: -24.679
Base-Backbone interact. energy: -0.154
local terms energy: -52.505350
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -82.545949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.545949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.545949 (E_RNA)
where:
Base-Base interactions energy: -28.513
where: short stacking energy: -28.513
Base-Backbone interact. energy: -0.090
local terms energy: -53.943230
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -82.168172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.168172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.168172 (E_RNA)
where:
Base-Base interactions energy: -31.354
where: short stacking energy: -26.777
Base-Backbone interact. energy: 1.084
local terms energy: -51.898442
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -252.230452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.230452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.230452 (E_RNA)
where:
Base-Base interactions energy: -164.895
where: short stacking energy: -83.625
Base-Backbone interact. energy: -1.000
local terms energy: -86.335371
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -223.491317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.491317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.491317 (E_RNA)
where:
Base-Base interactions energy: -142.486
where: short stacking energy: -69.967
Base-Backbone interact. energy: -0.017
local terms energy: -80.988301
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -218.746495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.746495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.746495 (E_RNA)
where:
Base-Base interactions energy: -134.394
where: short stacking energy: -71.846
Base-Backbone interact. energy: 0.455
local terms energy: -84.807671
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -192.236544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.236544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.236544 (E_RNA)
where:
Base-Base interactions energy: -114.573
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.418
local terms energy: -77.245059
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -233.544933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.544933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.544933 (E_RNA)
where:
Base-Base interactions energy: -158.449
where: short stacking energy: -67.118
Base-Backbone interact. energy: -1.314
local terms energy: -73.781801
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -118.753128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.753128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.753128 (E_RNA)
where:
Base-Base interactions energy: -47.601
where: short stacking energy: -44.032
Base-Backbone interact. energy: -0.525
local terms energy: -70.626734
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -103.803651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.803651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.803651 (E_RNA)
where:
Base-Base interactions energy: -45.900
where: short stacking energy: -47.000
Base-Backbone interact. energy: 0.196
local terms energy: -58.099626
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -10.988
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: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -84.556444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.556444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.556444 (E_RNA)
where:
Base-Base interactions energy: -44.174
where: short stacking energy: -27.834
Base-Backbone interact. energy: -0.232
local terms energy: -40.150493
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -0.298
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: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -97.072104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072104 (E_RNA)
where:
Base-Base interactions energy: -51.133
where: short stacking energy: -20.761
Base-Backbone interact. energy: -0.167
local terms energy: -45.772411
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -1.861
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -77.137651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.137651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.137651 (E_RNA)
where:
Base-Base interactions energy: -24.186
where: short stacking energy: -23.664
Base-Backbone interact. energy: -0.382
local terms energy: -52.569922
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -244.815705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.815705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.815705 (E_RNA)
where:
Base-Base interactions energy: -165.942
where: short stacking energy: -76.924
Base-Backbone interact. energy: -0.508
local terms energy: -78.366366
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -216.390024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.390024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.390024 (E_RNA)
where:
Base-Base interactions energy: -140.194
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.175
local terms energy: -76.020303
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -183.703363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.703363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.703363 (E_RNA)
where:
Base-Base interactions energy: -111.151
where: short stacking energy: -67.014
Base-Backbone interact. energy: -2.090
local terms energy: -70.462125
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -14.709
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: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -207.009281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.009281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.009281 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -70.225
Base-Backbone interact. energy: -1.805
local terms energy: -76.087300
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -226.246916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.246916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.246916 (E_RNA)
where:
Base-Base interactions energy: -152.418
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.208
local terms energy: -73.621198
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -113.552998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.552998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.552998 (E_RNA)
where:
Base-Base interactions energy: -46.521
where: short stacking energy: -34.479
Base-Backbone interact. energy: -0.457
local terms energy: -66.574726
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -94.463551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.463551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.463551 (E_RNA)
where:
Base-Base interactions energy: -42.372
where: short stacking energy: -26.587
Base-Backbone interact. energy: 0.359
local terms energy: -52.450157
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -3.057
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: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -97.778271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.778271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.778271 (E_RNA)
where:
Base-Base interactions energy: -46.467
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.116
local terms energy: -51.194664
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -0.160
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: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -87.686324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.686324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.686324 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -31.305
Base-Backbone interact. energy: 0.145
local terms energy: -47.293925
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -106.180392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.180392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.180392 (E_RNA)
where:
Base-Base interactions energy: -49.715
where: short stacking energy: -41.163
Base-Backbone interact. energy: -0.340
local terms energy: -56.125390
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -241.109625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.109625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.109625 (E_RNA)
where:
Base-Base interactions energy: -159.490
where: short stacking energy: -79.453
Base-Backbone interact. energy: -0.267
local terms energy: -81.352563
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -196.873571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.873571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.873571 (E_RNA)
where:
Base-Base interactions energy: -125.215
where: short stacking energy: -58.675
Base-Backbone interact. energy: -0.132
local terms energy: -71.526645
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -194.799160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.799160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.799160 (E_RNA)
where:
Base-Base interactions energy: -123.147
where: short stacking energy: -57.004
Base-Backbone interact. energy: -0.879
local terms energy: -70.773190
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -238.673159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.673159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.673159 (E_RNA)
where:
Base-Base interactions energy: -162.324
where: short stacking energy: -57.561
Base-Backbone interact. energy: -0.101
local terms energy: -76.248402
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -209.644410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.644410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.644410 (E_RNA)
where:
Base-Base interactions energy: -134.038
where: short stacking energy: -61.361
Base-Backbone interact. energy: -0.814
local terms energy: -74.792776
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -111.862296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.862296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.862296 (E_RNA)
where:
Base-Base interactions energy: -51.704
where: short stacking energy: -51.704
Base-Backbone interact. energy: -0.022
local terms energy: -60.135915
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -109.060463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.060463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.060463 (E_RNA)
where:
Base-Base interactions energy: -52.849
where: short stacking energy: -40.650
Base-Backbone interact. energy: -0.171
local terms energy: -56.041277
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -98.195119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.195119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.195119 (E_RNA)
where:
Base-Base interactions energy: -35.834
where: short stacking energy: -35.834
Base-Backbone interact. energy: 1.129
local terms energy: -63.490223
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -101.291237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.291237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.291237 (E_RNA)
where:
Base-Base interactions energy: -38.953
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.021
local terms energy: -62.316881
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.686
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: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -89.553275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.553275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.553275 (E_RNA)
where:
Base-Base interactions energy: -41.081
where: short stacking energy: -39.760
Base-Backbone interact. energy: -0.571
local terms energy: -47.900993
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -3.385
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: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -244.190094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.190094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.190094 (E_RNA)
where:
Base-Base interactions energy: -161.781
where: short stacking energy: -78.104
Base-Backbone interact. energy: -0.774
local terms energy: -81.634770
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -216.290428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.290428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.290428 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -71.214
Base-Backbone interact. energy: -0.057
local terms energy: -78.076677
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -23.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -229.150062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.150062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.150062 (E_RNA)
where:
Base-Base interactions energy: -157.288
where: short stacking energy: -59.190
Base-Backbone interact. energy: 1.490
local terms energy: -73.352516
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -186.990864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.990864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.990864 (E_RNA)
where:
Base-Base interactions energy: -116.626
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.188
local terms energy: -70.176752
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -181.343934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.343934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.343934 (E_RNA)
where:
Base-Base interactions energy: -113.333
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.318
local terms energy: -67.692489
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -110.177238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.177238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.177238 (E_RNA)
where:
Base-Base interactions energy: -52.386
where: short stacking energy: -39.443
Base-Backbone interact. energy: -0.143
local terms energy: -57.648952
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -10.850
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: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -99.001641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.001641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.001641 (E_RNA)
where:
Base-Base interactions energy: -36.909
where: short stacking energy: -36.065
Base-Backbone interact. energy: -0.097
local terms energy: -61.995803
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -86.972466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.972466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.972466 (E_RNA)
where:
Base-Base interactions energy: -28.852
where: short stacking energy: -28.720
Base-Backbone interact. energy: -0.024
local terms energy: -58.096546
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -84.330319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.330319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.330319 (E_RNA)
where:
Base-Base interactions energy: -36.644
where: short stacking energy: -34.465
Base-Backbone interact. energy: -0.040
local terms energy: -47.646432
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -79.876441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.876441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.876441 (E_RNA)
where:
Base-Base interactions energy: -25.204
where: short stacking energy: -23.046
Base-Backbone interact. energy: -0.750
local terms energy: -53.922560
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -4.337
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: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -247.677339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.677339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.677339 (E_RNA)
where:
Base-Base interactions energy: -166.612
where: short stacking energy: -71.696
Base-Backbone interact. energy: -0.168
local terms energy: -80.897740
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -233.490937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.490937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.490937 (E_RNA)
where:
Base-Base interactions energy: -150.504
where: short stacking energy: -71.091
Base-Backbone interact. energy: -0.184
local terms energy: -82.803180
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -211.649711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.649711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.649711 (E_RNA)
where:
Base-Base interactions energy: -137.332
where: short stacking energy: -68.357
Base-Backbone interact. energy: -0.011
local terms energy: -74.307100
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -204.383615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.383615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.383615 (E_RNA)
where:
Base-Base interactions energy: -143.540
where: short stacking energy: -64.911
Base-Backbone interact. energy: -0.033
local terms energy: -60.810381
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -9.428
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: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -183.452471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.452471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.452471 (E_RNA)
where:
Base-Base interactions energy: -101.120
where: short stacking energy: -51.185
Base-Backbone interact. energy: -0.425
local terms energy: -81.907461
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -106.627251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.627251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.627251 (E_RNA)
where:
Base-Base interactions energy: -41.998
where: short stacking energy: -41.998
Base-Backbone interact. energy: -0.232
local terms energy: -64.397241
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -100.349473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.349473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.349473 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -48.121
Base-Backbone interact. energy: -0.307
local terms energy: -54.163097
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -93.928327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.928327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.928327 (E_RNA)
where:
Base-Base interactions energy: -51.283
where: short stacking energy: -27.780
Base-Backbone interact. energy: 0.714
local terms energy: -43.359170
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -5.677
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: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -78.604811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.604811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.604811 (E_RNA)
where:
Base-Base interactions energy: -23.724
where: short stacking energy: -21.248
Base-Backbone interact. energy: -0.280
local terms energy: -54.601162
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -77.704958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.704958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.704958 (E_RNA)
where:
Base-Base interactions energy: -29.169
where: short stacking energy: -24.814
Base-Backbone interact. energy: -0.803
local terms energy: -47.733397
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -250.303575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.303575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.303575 (E_RNA)
where:
Base-Base interactions energy: -169.799
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.215
local terms energy: -80.289889
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -242.117986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.117986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.117986 (E_RNA)
where:
Base-Base interactions energy: -162.134
where: short stacking energy: -70.830
Base-Backbone interact. energy: -0.287
local terms energy: -79.696914
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -20.091
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: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -202.191008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.191008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.191008 (E_RNA)
where:
Base-Base interactions energy: -128.906
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.334
local terms energy: -72.950909
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -189.814602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.814602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.814602 (E_RNA)
where:
Base-Base interactions energy: -119.524
where: short stacking energy: -56.394
Base-Backbone interact. energy: 1.944
local terms energy: -72.234918
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -168.413743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.413743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.413743 (E_RNA)
where:
Base-Base interactions energy: -99.138
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.272
local terms energy: -69.003381
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -102.619296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.619296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.619296 (E_RNA)
where:
Base-Base interactions energy: -38.645
where: short stacking energy: -38.645
Base-Backbone interact. energy: 0.338
local terms energy: -64.312591
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -107.295715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.295715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.295715 (E_RNA)
where:
Base-Base interactions energy: -47.585
where: short stacking energy: -37.372
Base-Backbone interact. energy: 0.949
local terms energy: -60.659210
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -101.129201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.129201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.129201 (E_RNA)
where:
Base-Base interactions energy: -44.665
where: short stacking energy: -34.852
Base-Backbone interact. energy: -0.013
local terms energy: -56.451142
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -7.747
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: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -100.682678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.682678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.682678 (E_RNA)
where:
Base-Base interactions energy: -41.843
where: short stacking energy: -34.329
Base-Backbone interact. energy: -0.751
local terms energy: -58.088499
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -98.965014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.965014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.965014 (E_RNA)
where:
Base-Base interactions energy: -45.162
where: short stacking energy: -44.756
Base-Backbone interact. energy: 0.021
local terms energy: -53.823344
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -8.064
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: 373
Temperature: 0.900000
Total energy: -246.340702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.340702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.340702 (E_RNA)
where:
Base-Base interactions energy: -164.718
where: short stacking energy: -74.776
Base-Backbone interact. energy: -0.253
local terms energy: -81.369886
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -241.434440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.434440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.434440 (E_RNA)
where:
Base-Base interactions energy: -158.910
where: short stacking energy: -76.469
Base-Backbone interact. energy: -0.231
local terms energy: -82.292937
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -197.716053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.716053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.716053 (E_RNA)
where:
Base-Base interactions energy: -137.115
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.260
local terms energy: -60.341105
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -203.934957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.934957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.934957 (E_RNA)
where:
Base-Base interactions energy: -131.655
where: short stacking energy: -61.234
Base-Backbone interact. energy: 0.737
local terms energy: -73.016610
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -178.088487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.088487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.088487 (E_RNA)
where:
Base-Base interactions energy: -114.550
where: short stacking energy: -60.084
Base-Backbone interact. energy: 0.185
local terms energy: -63.722785
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -7.528
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -110.263066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.263066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.263066 (E_RNA)
where:
Base-Base interactions energy: -45.803
where: short stacking energy: -44.528
Base-Backbone interact. energy: 0.933
local terms energy: -65.393628
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -105.761810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.761810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.761810 (E_RNA)
where:
Base-Base interactions energy: -48.117
where: short stacking energy: -42.742
Base-Backbone interact. energy: -0.212
local terms energy: -57.432543
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -91.424206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.424206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.424206 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -25.905
Base-Backbone interact. energy: -0.155
local terms energy: -56.578133
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -76.868287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.868287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.868287 (E_RNA)
where:
Base-Base interactions energy: -29.047
where: short stacking energy: -26.593
Base-Backbone interact. energy: -1.185
local terms energy: -46.636562
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: 1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -104.885385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.885385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.885385 (E_RNA)
where:
Base-Base interactions energy: -58.091
where: short stacking energy: -45.674
Base-Backbone interact. energy: 2.036
local terms energy: -48.829789
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -7.487
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -248.073056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.073056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.073056 (E_RNA)
where:
Base-Base interactions energy: -165.025
where: short stacking energy: -67.078
Base-Backbone interact. energy: -0.358
local terms energy: -82.690507
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -250.567335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.567335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.567335 (E_RNA)
where:
Base-Base interactions energy: -165.454
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.092
local terms energy: -85.021571
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -200.762592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.762592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.762592 (E_RNA)
where:
Base-Base interactions energy: -131.212
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.430
local terms energy: -69.119794
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -183.032329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.032329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.032329 (E_RNA)
where:
Base-Base interactions energy: -120.648
where: short stacking energy: -61.388
Base-Backbone interact. energy: -0.061
local terms energy: -62.322916
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -150.625640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.625640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.625640 (E_RNA)
where:
Base-Base interactions energy: -87.475
where: short stacking energy: -47.413
Base-Backbone interact. energy: -0.629
local terms energy: -62.521697
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -114.867728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.867728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.867728 (E_RNA)
where:
Base-Base interactions energy: -48.554
where: short stacking energy: -48.554
Base-Backbone interact. energy: -0.392
local terms energy: -65.921685
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -11.254
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: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -96.336979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.336979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.336979 (E_RNA)
where:
Base-Base interactions energy: -52.828
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.404
local terms energy: -43.105626
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -87.135314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.135314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.135314 (E_RNA)
where:
Base-Base interactions energy: -26.654
where: short stacking energy: -22.930
Base-Backbone interact. energy: -0.566
local terms energy: -59.915048
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -83.362793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.362793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.362793 (E_RNA)
where:
Base-Base interactions energy: -35.732
where: short stacking energy: -29.618
Base-Backbone interact. energy: -0.275
local terms energy: -47.355944
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -77.406587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.406587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.406587 (E_RNA)
where:
Base-Base interactions energy: -23.828
where: short stacking energy: -17.463
Base-Backbone interact. energy: -0.234
local terms energy: -53.344903
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -246.222157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.222157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.222157 (E_RNA)
where:
Base-Base interactions energy: -174.662
where: short stacking energy: -77.472
Base-Backbone interact. energy: 0.467
local terms energy: -72.027158
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -253.340535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.340535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.340535 (E_RNA)
where:
Base-Base interactions energy: -181.280
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.215
local terms energy: -71.845374
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -207.940094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.940094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.940094 (E_RNA)
where:
Base-Base interactions energy: -130.298
where: short stacking energy: -65.876
Base-Backbone interact. energy: -0.007
local terms energy: -77.634807
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -195.054641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.054641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.054641 (E_RNA)
where:
Base-Base interactions energy: -123.382
where: short stacking energy: -63.107
Base-Backbone interact. energy: -0.243
local terms energy: -71.429778
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -7.964
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: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -156.826394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.826394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.826394 (E_RNA)
where:
Base-Base interactions energy: -95.380
where: short stacking energy: -44.695
Base-Backbone interact. energy: -0.106
local terms energy: -61.340593
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -156.518006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.518006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.518006 (E_RNA)
where:
Base-Base interactions energy: -98.251
where: short stacking energy: -50.392
Base-Backbone interact. energy: -0.037
local terms energy: -58.230268
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -112.120269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.120269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.120269 (E_RNA)
where:
Base-Base interactions energy: -55.312
where: short stacking energy: -43.899
Base-Backbone interact. energy: -0.107
local terms energy: -56.701120
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -93.995496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.995496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.995496 (E_RNA)
where:
Base-Base interactions energy: -35.069
where: short stacking energy: -26.441
Base-Backbone interact. energy: -0.208
local terms energy: -58.718147
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -96.433311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.433311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.433311 (E_RNA)
where:
Base-Base interactions energy: -42.106
where: short stacking energy: -19.570
Base-Backbone interact. energy: 0.219
local terms energy: -54.546381
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -93.770969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.770969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.770969 (E_RNA)
where:
Base-Base interactions energy: -36.999
where: short stacking energy: -30.205
Base-Backbone interact. energy: -0.132
local terms energy: -56.639985
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -255.203318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.203318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.203318 (E_RNA)
where:
Base-Base interactions energy: -176.280
where: short stacking energy: -74.373
Base-Backbone interact. energy: -0.319
local terms energy: -78.604434
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -254.813109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.813109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.813109 (E_RNA)
where:
Base-Base interactions energy: -176.244
where: short stacking energy: -72.650
Base-Backbone interact. energy: -0.382
local terms energy: -78.186946
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -200.816578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.816578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.816578 (E_RNA)
where:
Base-Base interactions energy: -125.231
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.010
local terms energy: -75.576288
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -200.892059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.892059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.892059 (E_RNA)
where:
Base-Base interactions energy: -129.462
where: short stacking energy: -64.573
Base-Backbone interact. energy: -0.168
local terms energy: -71.261525
where:
bonds (distance) C4'-P energy: -8.382
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.106
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: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -155.119655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.119655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.119655 (E_RNA)
where:
Base-Base interactions energy: -85.981
where: short stacking energy: -54.295
Base-Backbone interact. energy: -0.146
local terms energy: -68.992920
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -141.259117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.259117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.259117 (E_RNA)
where:
Base-Base interactions energy: -73.699
where: short stacking energy: -41.457
Base-Backbone interact. energy: 0.066
local terms energy: -67.626574
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -9.526
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: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -107.382163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.382163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.382163 (E_RNA)
where:
Base-Base interactions energy: -56.190
where: short stacking energy: -34.229
Base-Backbone interact. energy: -0.158
local terms energy: -51.033837
where:
bonds (distance) C4'-P energy: -5.687
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -10.084
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: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -76.907629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.907629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.907629 (E_RNA)
where:
Base-Base interactions energy: -30.545
where: short stacking energy: -30.545
Base-Backbone interact. energy: -0.598
local terms energy: -45.764873
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -129.384418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.384418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.384418 (E_RNA)
where:
Base-Base interactions energy: -74.489
where: short stacking energy: -41.001
Base-Backbone interact. energy: -0.273
local terms energy: -54.622844
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -10.622
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: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -79.383306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.383306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.383306 (E_RNA)
where:
Base-Base interactions energy: -26.272
where: short stacking energy: -24.422
Base-Backbone interact. energy: -0.283
local terms energy: -52.828007
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -256.749984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.749984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.749984 (E_RNA)
where:
Base-Base interactions energy: -178.040
where: short stacking energy: -73.937
Base-Backbone interact. energy: -0.146
local terms energy: -78.564183
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -19.958
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: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -205.801711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.801711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.801711 (E_RNA)
where:
Base-Base interactions energy: -130.176
where: short stacking energy: -72.905
Base-Backbone interact. energy: -0.215
local terms energy: -75.410865
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -248.590000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.590000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.590000 (E_RNA)
where:
Base-Base interactions energy: -171.263
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.294
local terms energy: -77.033305
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -18.743
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: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -189.121547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.121547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.121547 (E_RNA)
where:
Base-Base interactions energy: -125.947
where: short stacking energy: -52.023
Base-Backbone interact. energy: -0.247
local terms energy: -62.927186
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -154.509361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.509361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.509361 (E_RNA)
where:
Base-Base interactions energy: -81.078
where: short stacking energy: -43.439
Base-Backbone interact. energy: -0.093
local terms energy: -73.338734
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -100.371651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.371651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.371651 (E_RNA)
where:
Base-Base interactions energy: -47.749
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.340
local terms energy: -52.282339
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -6.870
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -103.676825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.676825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.676825 (E_RNA)
where:
Base-Base interactions energy: -45.047
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.063
local terms energy: -58.567138
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -147.178222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.178222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.178222 (E_RNA)
where:
Base-Base interactions energy: -98.058
where: short stacking energy: -42.160
Base-Backbone interact. energy: -0.234
local terms energy: -48.886611
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -91.538052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.538052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.538052 (E_RNA)
where:
Base-Base interactions energy: -31.260
where: short stacking energy: -26.099
Base-Backbone interact. energy: 2.952
local terms energy: -63.229594
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -90.741769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.741769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.741769 (E_RNA)
where:
Base-Base interactions energy: -36.119
where: short stacking energy: -29.596
Base-Backbone interact. energy: 1.191
local terms energy: -55.813981
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: 1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -252.025648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.025648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.025648 (E_RNA)
where:
Base-Base interactions energy: -177.739
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.227
local terms energy: -74.059546
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -16.753
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: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -209.823922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.823922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.823922 (E_RNA)
where:
Base-Base interactions energy: -133.692
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.007
local terms energy: -76.125517
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -18.275
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: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -241.390282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.390282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.390282 (E_RNA)
where:
Base-Base interactions energy: -171.533
where: short stacking energy: -58.812
Base-Backbone interact. energy: 0.684
local terms energy: -70.540920
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -199.564467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.564467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.564467 (E_RNA)
where:
Base-Base interactions energy: -128.085
where: short stacking energy: -52.173
Base-Backbone interact. energy: -0.127
local terms energy: -71.352927
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -9.338
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: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -161.256985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.256985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.256985 (E_RNA)
where:
Base-Base interactions energy: -95.219
where: short stacking energy: -52.185
Base-Backbone interact. energy: -1.085
local terms energy: -64.952669
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -98.632728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.632728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.632728 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -40.780
Base-Backbone interact. energy: -0.042
local terms energy: -57.811273
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -149.846354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.846354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.846354 (E_RNA)
where:
Base-Base interactions energy: -83.006
where: short stacking energy: -32.595
Base-Backbone interact. energy: 1.166
local terms energy: -68.006685
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -8.594
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: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -97.591415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.591415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.591415 (E_RNA)
where:
Base-Base interactions energy: -44.092
where: short stacking energy: -34.231
Base-Backbone interact. energy: 0.158
local terms energy: -53.658161
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -82.128610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.128610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.128610 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -32.759
Base-Backbone interact. energy: -0.022
local terms energy: -49.348134
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -92.112973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.112973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.112973 (E_RNA)
where:
Base-Base interactions energy: -39.175
where: short stacking energy: -38.341
Base-Backbone interact. energy: -0.070
local terms energy: -52.867722
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -6.451
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: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -255.598320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.598320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.598320 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -70.794
Base-Backbone interact. energy: -0.133
local terms energy: -75.481806
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -245.462061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.462061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.462061 (E_RNA)
where:
Base-Base interactions energy: -165.265
where: short stacking energy: -75.748
Base-Backbone interact. energy: -0.087
local terms energy: -80.110540
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -11.574
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: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -211.937411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.937411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.937411 (E_RNA)
where:
Base-Base interactions energy: -129.753
where: short stacking energy: -73.551
Base-Backbone interact. energy: -0.015
local terms energy: -82.169285
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -201.790181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.790181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.790181 (E_RNA)
where:
Base-Base interactions energy: -136.511
where: short stacking energy: -65.973
Base-Backbone interact. energy: -0.240
local terms energy: -65.039357
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -5.326
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: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -164.230500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.230500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.230500 (E_RNA)
where:
Base-Base interactions energy: -98.583
where: short stacking energy: -54.572
Base-Backbone interact. energy: 0.828
local terms energy: -66.474839
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -10.063
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: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -131.544622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.544622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.544622 (E_RNA)
where:
Base-Base interactions energy: -69.824
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.866
local terms energy: -60.854205
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -95.971396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.971396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.971396 (E_RNA)
where:
Base-Base interactions energy: -41.721
where: short stacking energy: -34.988
Base-Backbone interact. energy: 1.195
local terms energy: -55.445240
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -2.884
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: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -95.888080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.888080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.888080 (E_RNA)
where:
Base-Base interactions energy: -40.817
where: short stacking energy: -40.817
Base-Backbone interact. energy: -0.244
local terms energy: -54.826733
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -7.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -86.255789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.255789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.255789 (E_RNA)
where:
Base-Base interactions energy: -31.226
where: short stacking energy: -27.830
Base-Backbone interact. energy: -0.012
local terms energy: -55.018421
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -93.769847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.769847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.769847 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.114
local terms energy: -54.687125
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -3.928
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: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -256.710775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.710775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.710775 (E_RNA)
where:
Base-Base interactions energy: -174.957
where: short stacking energy: -78.360
Base-Backbone interact. energy: 0.219
local terms energy: -81.972827
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -19.978
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: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -247.289497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.289497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.289497 (E_RNA)
where:
Base-Base interactions energy: -168.927
where: short stacking energy: -70.421
Base-Backbone interact. energy: -0.171
local terms energy: -78.190935
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -203.933786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.933786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.933786 (E_RNA)
where:
Base-Base interactions energy: -127.606
where: short stacking energy: -61.142
Base-Backbone interact. energy: -0.073
local terms energy: -76.254364
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -204.517020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.517020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.517020 (E_RNA)
where:
Base-Base interactions energy: -128.790
where: short stacking energy: -69.437
Base-Backbone interact. energy: -0.564
local terms energy: -75.163808
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -18.685
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: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -174.233140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.233140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.233140 (E_RNA)
where:
Base-Base interactions energy: -104.710
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.118
local terms energy: -69.405224
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -134.165393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.165393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.165393 (E_RNA)
where:
Base-Base interactions energy: -76.181
where: short stacking energy: -52.217
Base-Backbone interact. energy: -0.006
local terms energy: -57.978657
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -120.424006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.424006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.424006 (E_RNA)
where:
Base-Base interactions energy: -57.611
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.101
local terms energy: -62.711864
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -93.924008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.924008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.924008 (E_RNA)
where:
Base-Base interactions energy: -34.021
where: short stacking energy: -31.825
Base-Backbone interact. energy: 1.430
local terms energy: -61.332435
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -4.722
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: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -85.198693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.198693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.198693 (E_RNA)
where:
Base-Base interactions energy: -31.551
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.211
local terms energy: -53.436731
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -5.741
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -79.685375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.685375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.685375 (E_RNA)
where:
Base-Base interactions energy: -29.868
where: short stacking energy: -21.072
Base-Backbone interact. energy: -0.649
local terms energy: -49.168822
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: 1.847
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: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -252.966398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.966398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.966398 (E_RNA)
where:
Base-Base interactions energy: -170.103
where: short stacking energy: -73.497
Base-Backbone interact. energy: -0.328
local terms energy: -82.535317
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -254.166290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.166290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.166290 (E_RNA)
where:
Base-Base interactions energy: -178.136
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.739
local terms energy: -75.291509
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -202.541063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.541063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.541063 (E_RNA)
where:
Base-Base interactions energy: -129.497
where: short stacking energy: -49.307
Base-Backbone interact. energy: -0.614
local terms energy: -72.430381
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -183.718137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.718137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.718137 (E_RNA)
where:
Base-Base interactions energy: -111.188
where: short stacking energy: -62.032
Base-Backbone interact. energy: -0.084
local terms energy: -72.446349
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -170.463535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.463535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.463535 (E_RNA)
where:
Base-Base interactions energy: -95.384
where: short stacking energy: -52.781
Base-Backbone interact. energy: -0.232
local terms energy: -74.848076
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.503
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: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -118.300956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.300956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.300956 (E_RNA)
where:
Base-Base interactions energy: -59.921
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.073
local terms energy: -58.307475
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.821
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: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -130.087692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.087692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.087692 (E_RNA)
where:
Base-Base interactions energy: -71.525
where: short stacking energy: -45.244
Base-Backbone interact. energy: -0.115
local terms energy: -58.446860
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -94.684093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.684093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.684093 (E_RNA)
where:
Base-Base interactions energy: -34.633
where: short stacking energy: -34.633
Base-Backbone interact. energy: -0.197
local terms energy: -59.854632
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -7.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -90.054897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.054897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.054897 (E_RNA)
where:
Base-Base interactions energy: -45.335
where: short stacking energy: -18.756
Base-Backbone interact. energy: -0.233
local terms energy: -44.487169
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -76.493181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.493181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.493181 (E_RNA)
where:
Base-Base interactions energy: -18.716
where: short stacking energy: -14.455
Base-Backbone interact. energy: -0.170
local terms energy: -57.607319
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -257.495234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.495234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.495234 (E_RNA)
where:
Base-Base interactions energy: -183.564
where: short stacking energy: -64.420
Base-Backbone interact. energy: 0.358
local terms energy: -74.289502
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -252.458904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.458904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.458904 (E_RNA)
where:
Base-Base interactions energy: -175.379
where: short stacking energy: -75.575
Base-Backbone interact. energy: -0.427
local terms energy: -76.652570
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -15.937
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: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -194.938552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.938552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.938552 (E_RNA)
where:
Base-Base interactions energy: -121.394
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.148
local terms energy: -73.396557
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -195.097593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.097593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.097593 (E_RNA)
where:
Base-Base interactions energy: -128.746
where: short stacking energy: -48.569
Base-Backbone interact. energy: -0.314
local terms energy: -66.038088
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -173.458324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.458324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.458324 (E_RNA)
where:
Base-Base interactions energy: -113.385
where: short stacking energy: -53.510
Base-Backbone interact. energy: -0.220
local terms energy: -59.852979
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -106.956936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.956936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.956936 (E_RNA)
where:
Base-Base interactions energy: -55.196
where: short stacking energy: -28.164
Base-Backbone interact. energy: -0.761
local terms energy: -50.999869
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -93.485596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.485596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.485596 (E_RNA)
where:
Base-Base interactions energy: -36.487
where: short stacking energy: -32.105
Base-Backbone interact. energy: -0.023
local terms energy: -56.974819
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -5.292
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: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -86.012986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.012986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.012986 (E_RNA)
where:
Base-Base interactions energy: -32.594
where: short stacking energy: -32.594
Base-Backbone interact. energy: -0.053
local terms energy: -53.366743
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -2.460
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -85.921207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.921207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.921207 (E_RNA)
where:
Base-Base interactions energy: -37.892
where: short stacking energy: -15.716
Base-Backbone interact. energy: -0.115
local terms energy: -47.914645
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: 3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -76.206436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.206436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.206436 (E_RNA)
where:
Base-Base interactions energy: -19.876
where: short stacking energy: -19.876
Base-Backbone interact. energy: -0.011
local terms energy: -56.319605
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -3.381
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: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -250.711907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.711907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.711907 (E_RNA)
where:
Base-Base interactions energy: -171.420
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.206
local terms energy: -79.085749
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -19.225
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: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -255.491720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.491720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.491720 (E_RNA)
where:
Base-Base interactions energy: -173.626
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.123
local terms energy: -81.743177
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -18.488
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: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -192.840362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.840362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.840362 (E_RNA)
where:
Base-Base interactions energy: -125.659
where: short stacking energy: -51.782
Base-Backbone interact. energy: -0.155
local terms energy: -67.026318
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -190.710445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.710445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.710445 (E_RNA)
where:
Base-Base interactions energy: -123.649
where: short stacking energy: -64.489
Base-Backbone interact. energy: -0.056
local terms energy: -67.005396
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -179.201377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.201377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.201377 (E_RNA)
where:
Base-Base interactions energy: -110.686
where: short stacking energy: -57.550
Base-Backbone interact. energy: -0.086
local terms energy: -68.429171
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -17.481
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -106.911985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.911985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.911985 (E_RNA)
where:
Base-Base interactions energy: -60.705
where: short stacking energy: -38.142
Base-Backbone interact. energy: -0.218
local terms energy: -45.989044
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -11.424
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: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -102.883954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.883954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.883954 (E_RNA)
where:
Base-Base interactions energy: -50.372
where: short stacking energy: -39.537
Base-Backbone interact. energy: -1.002
local terms energy: -51.510154
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -91.363671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.363671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.363671 (E_RNA)
where:
Base-Base interactions energy: -35.674
where: short stacking energy: -34.771
Base-Backbone interact. energy: 0.044
local terms energy: -55.734195
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -89.979181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.979181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.979181 (E_RNA)
where:
Base-Base interactions energy: -45.685
where: short stacking energy: -43.065
Base-Backbone interact. energy: -0.074
local terms energy: -44.221069
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -1.407
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: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -77.678067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.678067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.678067 (E_RNA)
where:
Base-Base interactions energy: -29.019
where: short stacking energy: -25.947
Base-Backbone interact. energy: -0.306
local terms energy: -48.352923
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -10.945
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: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -259.326223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.326223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.326223 (E_RNA)
where:
Base-Base interactions energy: -185.430
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.052
local terms energy: -73.843899
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -253.113736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.113736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.113736 (E_RNA)
where:
Base-Base interactions energy: -173.602
where: short stacking energy: -64.490
Base-Backbone interact. energy: -0.240
local terms energy: -79.272066
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -12.422
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: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -205.753113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.753113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.753113 (E_RNA)
where:
Base-Base interactions energy: -129.399
where: short stacking energy: -60.340
Base-Backbone interact. energy: -1.722
local terms energy: -74.632376
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -189.214698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.214698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.214698 (E_RNA)
where:
Base-Base interactions energy: -120.268
where: short stacking energy: -59.261
Base-Backbone interact. energy: -0.156
local terms energy: -68.790508
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -190.518440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.518440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.518440 (E_RNA)
where:
Base-Base interactions energy: -113.592
where: short stacking energy: -58.495
Base-Backbone interact. energy: -0.352
local terms energy: -76.574556
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -11.904
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: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -109.772729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.772729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.772729 (E_RNA)
where:
Base-Base interactions energy: -48.262
where: short stacking energy: -41.055
Base-Backbone interact. energy: -0.660
local terms energy: -60.850615
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -103.781665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.781665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.781665 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -25.759
Base-Backbone interact. energy: -0.088
local terms energy: -62.663549
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -12.944
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: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -102.575401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.575401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.575401 (E_RNA)
where:
Base-Base interactions energy: -41.239
where: short stacking energy: -41.054
Base-Backbone interact. energy: -0.130
local terms energy: -61.207107
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -9.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -88.637605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.637605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.637605 (E_RNA)
where:
Base-Base interactions energy: -32.316
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.129
local terms energy: -56.192212
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -10.091
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: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -81.387579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.387579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.387579 (E_RNA)
where:
Base-Base interactions energy: -28.182
where: short stacking energy: -21.198
Base-Backbone interact. energy: -0.209
local terms energy: -52.996207
where:
bonds (distance) C4'-P energy: -6.739
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -268.588854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.588854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.588854 (E_RNA)
where:
Base-Base interactions energy: -188.251
where: short stacking energy: -66.001
Base-Backbone interact. energy: 0.046
local terms energy: -80.384558
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -247.548175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.548175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.548175 (E_RNA)
where:
Base-Base interactions energy: -175.124
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.890
local terms energy: -71.533939
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -206.472918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.472918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.472918 (E_RNA)
where:
Base-Base interactions energy: -133.522
where: short stacking energy: -64.213
Base-Backbone interact. energy: -0.123
local terms energy: -72.827942
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -191.988823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.988823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.988823 (E_RNA)
where:
Base-Base interactions energy: -122.109
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.113
local terms energy: -69.766940
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -183.517220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.517220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.517220 (E_RNA)
where:
Base-Base interactions energy: -110.507
where: short stacking energy: -50.146
Base-Backbone interact. energy: -0.805
local terms energy: -72.204448
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -112.648514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.648514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.648514 (E_RNA)
where:
Base-Base interactions energy: -54.436
where: short stacking energy: -36.966
Base-Backbone interact. energy: -0.493
local terms energy: -57.720147
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -109.947464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.947464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.947464 (E_RNA)
where:
Base-Base interactions energy: -45.707
where: short stacking energy: -42.228
Base-Backbone interact. energy: -0.055
local terms energy: -64.184611
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -87.903944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.903944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.903944 (E_RNA)
where:
Base-Base interactions energy: -37.637
where: short stacking energy: -32.151
Base-Backbone interact. energy: -0.162
local terms energy: -50.104984
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -96.370856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.370856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.370856 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -29.887
Base-Backbone interact. energy: -0.254
local terms energy: -60.230381
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -87.619229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.619229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.619229 (E_RNA)
where:
Base-Base interactions energy: -26.559
where: short stacking energy: -26.559
Base-Backbone interact. energy: -0.177
local terms energy: -60.882686
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -252.922424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.922424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.922424 (E_RNA)
where:
Base-Base interactions energy: -174.902
where: short stacking energy: -69.005
Base-Backbone interact. energy: -1.057
local terms energy: -76.963472
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.774
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: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -257.471596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.471596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.471596 (E_RNA)
where:
Base-Base interactions energy: -187.947
where: short stacking energy: -60.804
Base-Backbone interact. energy: -0.283
local terms energy: -69.241955
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -206.836443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.836443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.836443 (E_RNA)
where:
Base-Base interactions energy: -126.876
where: short stacking energy: -66.264
Base-Backbone interact. energy: -0.098
local terms energy: -79.862081
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -185.050727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.050727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.050727 (E_RNA)
where:
Base-Base interactions energy: -118.296
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.138
local terms energy: -66.616845
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -8.441
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: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -208.386215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.386215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.386215 (E_RNA)
where:
Base-Base interactions energy: -132.231
where: short stacking energy: -71.439
Base-Backbone interact. energy: 0.043
local terms energy: -76.197836
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -123.657403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.657403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.657403 (E_RNA)
where:
Base-Base interactions energy: -58.149
where: short stacking energy: -37.016
Base-Backbone interact. energy: -0.449
local terms energy: -65.059164
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -2.150
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: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -102.592624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.592624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.592624 (E_RNA)
where:
Base-Base interactions energy: -39.469
where: short stacking energy: -38.246
Base-Backbone interact. energy: -0.203
local terms energy: -62.921179
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -94.013432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.013432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.013432 (E_RNA)
where:
Base-Base interactions energy: -42.242
where: short stacking energy: -42.242
Base-Backbone interact. energy: -0.115
local terms energy: -51.656218
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -94.642659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.642659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.642659 (E_RNA)
where:
Base-Base interactions energy: -34.795
where: short stacking energy: -34.995
Base-Backbone interact. energy: 1.239
local terms energy: -61.087017
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -87.819392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.819392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.819392 (E_RNA)
where:
Base-Base interactions energy: -45.633
where: short stacking energy: -37.399
Base-Backbone interact. energy: 0.610
local terms energy: -42.796643
where:
bonds (distance) C4'-P energy: -5.850
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -264.425833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.425833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.425833 (E_RNA)
where:
Base-Base interactions energy: -179.072
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.143
local terms energy: -85.210288
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -247.213468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.213468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.213468 (E_RNA)
where:
Base-Base interactions energy: -162.826
where: short stacking energy: -66.380
Base-Backbone interact. energy: -0.194
local terms energy: -84.193332
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -223.945319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.945319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.945319 (E_RNA)
where:
Base-Base interactions energy: -143.478
where: short stacking energy: -70.982
Base-Backbone interact. energy: -0.612
local terms energy: -79.855389
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -195.812693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.812693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.812693 (E_RNA)
where:
Base-Base interactions energy: -126.617
where: short stacking energy: -61.887
Base-Backbone interact. energy: -0.255
local terms energy: -68.940493
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -183.883039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.883039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.883039 (E_RNA)
where:
Base-Base interactions energy: -113.638
where: short stacking energy: -66.127
Base-Backbone interact. energy: -0.053
local terms energy: -70.191904
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -126.319226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.319226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.319226 (E_RNA)
where:
Base-Base interactions energy: -64.926
where: short stacking energy: -36.365
Base-Backbone interact. energy: -0.370
local terms energy: -61.022966
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -108.288738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.288738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.288738 (E_RNA)
where:
Base-Base interactions energy: -43.789
where: short stacking energy: -29.775
Base-Backbone interact. energy: -0.069
local terms energy: -64.431604
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -6.344
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: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -90.847553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.847553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.847553 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -31.499
Base-Backbone interact. energy: 4.067
local terms energy: -61.386186
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -96.182214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.182214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.182214 (E_RNA)
where:
Base-Base interactions energy: -39.439
where: short stacking energy: -39.439
Base-Backbone interact. energy: -0.127
local terms energy: -56.615581
where:
bonds (distance) C4'-P energy: -7.115
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -95.336098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.336098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.336098 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -32.024
Base-Backbone interact. energy: -0.186
local terms energy: -54.471931
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -5.551
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: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -258.131140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.131140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.131140 (E_RNA)
where:
Base-Base interactions energy: -180.978
where: short stacking energy: -75.354
Base-Backbone interact. energy: -0.665
local terms energy: -76.488579
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -253.296040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.296040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.296040 (E_RNA)
where:
Base-Base interactions energy: -174.263
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.111
local terms energy: -78.921815
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -218.694770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.694770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.694770 (E_RNA)
where:
Base-Base interactions energy: -137.279
where: short stacking energy: -75.937
Base-Backbone interact. energy: -0.030
local terms energy: -81.385882
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -22.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -189.667216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.667216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.667216 (E_RNA)
where:
Base-Base interactions energy: -120.482
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.070
local terms energy: -69.115290
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -12.551
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: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -171.409519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.409519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.409519 (E_RNA)
where:
Base-Base interactions energy: -97.267
where: short stacking energy: -55.860
Base-Backbone interact. energy: -0.023
local terms energy: -74.118999
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -12.623
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: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -167.727117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.727117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.727117 (E_RNA)
where:
Base-Base interactions energy: -98.240
where: short stacking energy: -49.303
Base-Backbone interact. energy: -0.120
local terms energy: -69.367066
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -9.028
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: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -124.169322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.169322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.169322 (E_RNA)
where:
Base-Base interactions energy: -63.283
where: short stacking energy: -34.873
Base-Backbone interact. energy: -0.380
local terms energy: -60.506378
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -5.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -101.568133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.568133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.568133 (E_RNA)
where:
Base-Base interactions energy: -55.730
where: short stacking energy: -23.316
Base-Backbone interact. energy: -0.683
local terms energy: -45.155549
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -7.512
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -1.020
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: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -83.309402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.309402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.309402 (E_RNA)
where:
Base-Base interactions energy: -26.740
where: short stacking energy: -22.460
Base-Backbone interact. energy: -0.079
local terms energy: -56.489841
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -87.327342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.327342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.327342 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -19.316
Base-Backbone interact. energy: 1.255
local terms energy: -55.859709
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -10.514
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: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -254.992119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.992119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.992119 (E_RNA)
where:
Base-Base interactions energy: -176.593
where: short stacking energy: -67.740
Base-Backbone interact. energy: -0.169
local terms energy: -78.229525
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -235.597422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.597422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.597422 (E_RNA)
where:
Base-Base interactions energy: -151.958
where: short stacking energy: -78.085
Base-Backbone interact. energy: -0.610
local terms energy: -83.029303
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -24.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -237.680471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.680471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.680471 (E_RNA)
where:
Base-Base interactions energy: -153.532
where: short stacking energy: -76.726
Base-Backbone interact. energy: -1.382
local terms energy: -82.766755
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -206.834469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.834469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.834469 (E_RNA)
where:
Base-Base interactions energy: -122.851
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.322
local terms energy: -83.661693
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -13.212
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: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -159.737228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.737228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.737228 (E_RNA)
where:
Base-Base interactions energy: -100.787
where: short stacking energy: -43.440
Base-Backbone interact. energy: -0.318
local terms energy: -58.632271
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -114.204228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.204228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.204228 (E_RNA)
where:
Base-Base interactions energy: -60.880
where: short stacking energy: -31.292
Base-Backbone interact. energy: -0.417
local terms energy: -52.906622
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -161.460819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.460819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.460819 (E_RNA)
where:
Base-Base interactions energy: -96.672
where: short stacking energy: -49.355
Base-Backbone interact. energy: -0.536
local terms energy: -64.251881
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -7.770
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -108.116388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.116388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.116388 (E_RNA)
where:
Base-Base interactions energy: -61.608
where: short stacking energy: -32.030
Base-Backbone interact. energy: 1.122
local terms energy: -47.630891
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -4.361
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: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -82.889584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.889584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.889584 (E_RNA)
where:
Base-Base interactions energy: -31.069
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.129
local terms energy: -51.691503
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: 2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -83.107166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.107166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.107166 (E_RNA)
where:
Base-Base interactions energy: -29.699
where: short stacking energy: -25.984
Base-Backbone interact. energy: -0.487
local terms energy: -52.921284
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -238.210953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.210953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.210953 (E_RNA)
where:
Base-Base interactions energy: -147.684
where: short stacking energy: -69.973
Base-Backbone interact. energy: -0.001
local terms energy: -90.526227
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -24.481
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: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -247.988668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.988668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.988668 (E_RNA)
where:
Base-Base interactions energy: -166.788
where: short stacking energy: -66.162
Base-Backbone interact. energy: 0.100
local terms energy: -81.300974
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -236.841578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.841578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.841578 (E_RNA)
where:
Base-Base interactions energy: -159.531
where: short stacking energy: -67.828
Base-Backbone interact. energy: -1.063
local terms energy: -76.247006
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -19.009
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: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -203.727767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.727767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.727767 (E_RNA)
where:
Base-Base interactions energy: -125.195
where: short stacking energy: -64.180
Base-Backbone interact. energy: -0.004
local terms energy: -78.528368
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -13.695
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: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -127.849184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.849184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.849184 (E_RNA)
where:
Base-Base interactions energy: -61.157
where: short stacking energy: -33.005
Base-Backbone interact. energy: -0.164
local terms energy: -66.528186
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -177.571087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.571087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.571087 (E_RNA)
where:
Base-Base interactions energy: -117.878
where: short stacking energy: -57.405
Base-Backbone interact. energy: -0.036
local terms energy: -59.656391
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -170.230936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.230936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.230936 (E_RNA)
where:
Base-Base interactions energy: -105.990
where: short stacking energy: -44.524
Base-Backbone interact. energy: 1.279
local terms energy: -65.520439
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.745
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: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -93.789426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.789426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.789426 (E_RNA)
where:
Base-Base interactions energy: -31.185
where: short stacking energy: -29.804
Base-Backbone interact. energy: -0.439
local terms energy: -62.165164
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -9.555
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: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -90.636244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.636244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.636244 (E_RNA)
where:
Base-Base interactions energy: -39.316
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.039
local terms energy: -51.280395
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -82.465135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.465135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.465135 (E_RNA)
where:
Base-Base interactions energy: -41.880
where: short stacking energy: -28.247
Base-Backbone interact. energy: 0.473
local terms energy: -41.058505
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: 1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -237.122663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.122663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.122663 (E_RNA)
where:
Base-Base interactions energy: -153.107
where: short stacking energy: -74.663
Base-Backbone interact. energy: -0.027
local terms energy: -83.988936
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -11.502
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: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -234.542977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.542977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.542977 (E_RNA)
where:
Base-Base interactions energy: -161.546
where: short stacking energy: -83.984
Base-Backbone interact. energy: -0.344
local terms energy: -72.653215
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -249.488028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.488028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.488028 (E_RNA)
where:
Base-Base interactions energy: -181.953
where: short stacking energy: -62.537
Base-Backbone interact. energy: 0.551
local terms energy: -68.086054
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -200.505506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.505506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.505506 (E_RNA)
where:
Base-Base interactions energy: -126.931
where: short stacking energy: -69.283
Base-Backbone interact. energy: -0.065
local terms energy: -73.509127
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -8.404
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: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -120.776264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.776264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.776264 (E_RNA)
where:
Base-Base interactions energy: -66.081
where: short stacking energy: -37.678
Base-Backbone interact. energy: -0.219
local terms energy: -54.476256
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -13.051
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: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -166.398918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.398918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.398918 (E_RNA)
where:
Base-Base interactions energy: -93.804
where: short stacking energy: -53.916
Base-Backbone interact. energy: -1.039
local terms energy: -71.555299
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -157.568398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.568398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.568398 (E_RNA)
where:
Base-Base interactions energy: -103.211
where: short stacking energy: -47.271
Base-Backbone interact. energy: -0.040
local terms energy: -54.317467
where:
bonds (distance) C4'-P energy: -7.571
bonds (distance) P-C4' energy: -8.271
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -13.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -102.080112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.080112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.080112 (E_RNA)
where:
Base-Base interactions energy: -41.760
where: short stacking energy: -41.616
Base-Backbone interact. energy: -0.710
local terms energy: -59.610166
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -82.147669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.147669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.147669 (E_RNA)
where:
Base-Base interactions energy: -44.451
where: short stacking energy: -25.293
Base-Backbone interact. energy: -0.203
local terms energy: -37.493141
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -1.532
tors. eta vs tors. theta energy: 3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -83.207740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.207740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.207740 (E_RNA)
where:
Base-Base interactions energy: -25.288
where: short stacking energy: -25.288
Base-Backbone interact. energy: -0.063
local terms energy: -57.856408
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -243.251143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.251143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.251143 (E_RNA)
where:
Base-Base interactions energy: -168.556
where: short stacking energy: -74.118
Base-Backbone interact. energy: -0.414
local terms energy: -74.281066
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -233.129454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.129454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.129454 (E_RNA)
where:
Base-Base interactions energy: -152.078
where: short stacking energy: -76.365
Base-Backbone interact. energy: -0.010
local terms energy: -81.041361
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -258.209311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.209311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.209311 (E_RNA)
where:
Base-Base interactions energy: -183.843
where: short stacking energy: -57.737
Base-Backbone interact. energy: 0.255
local terms energy: -74.621246
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.021
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: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -204.883500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.883500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.883500 (E_RNA)
where:
Base-Base interactions energy: -129.257
where: short stacking energy: -65.319
Base-Backbone interact. energy: -0.011
local terms energy: -75.615112
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -173.043927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.043927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.043927 (E_RNA)
where:
Base-Base interactions energy: -107.171
where: short stacking energy: -65.137
Base-Backbone interact. energy: 0.521
local terms energy: -66.394354
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -20.467
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -112.498440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.498440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.498440 (E_RNA)
where:
Base-Base interactions energy: -44.102
where: short stacking energy: -42.855
Base-Backbone interact. energy: -0.001
local terms energy: -68.394750
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -172.171289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.171289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.171289 (E_RNA)
where:
Base-Base interactions energy: -113.066
where: short stacking energy: -40.548
Base-Backbone interact. energy: -0.123
local terms energy: -58.981702
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -7.422
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: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -105.280392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.280392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.280392 (E_RNA)
where:
Base-Base interactions energy: -52.395
where: short stacking energy: -25.888
Base-Backbone interact. energy: -1.162
local terms energy: -51.723494
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -100.715847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.715847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.715847 (E_RNA)
where:
Base-Base interactions energy: -47.933
where: short stacking energy: -45.907
Base-Backbone interact. energy: -0.565
local terms energy: -52.218447
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -3.294
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: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -92.627435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.627435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.627435 (E_RNA)
where:
Base-Base interactions energy: -32.782
where: short stacking energy: -29.610
Base-Backbone interact. energy: -0.095
local terms energy: -59.750985
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -245.493622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.493622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.493622 (E_RNA)
where:
Base-Base interactions energy: -168.810
where: short stacking energy: -76.969
Base-Backbone interact. energy: -0.487
local terms energy: -76.195735
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -250.240152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.240152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.240152 (E_RNA)
where:
Base-Base interactions energy: -183.153
where: short stacking energy: -60.306
Base-Backbone interact. energy: 0.917
local terms energy: -68.004992
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -205.238992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.238992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.238992 (E_RNA)
where:
Base-Base interactions energy: -128.683
where: short stacking energy: -61.040
Base-Backbone interact. energy: -0.208
local terms energy: -76.347818
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -201.005782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.005782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.005782 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -68.690
Base-Backbone interact. energy: -0.203
local terms energy: -71.546169
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -15.080
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: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -163.336802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.336802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.336802 (E_RNA)
where:
Base-Base interactions energy: -94.908
where: short stacking energy: -46.567
Base-Backbone interact. energy: -0.747
local terms energy: -67.681589
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -164.494616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.494616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.494616 (E_RNA)
where:
Base-Base interactions energy: -98.496
where: short stacking energy: -51.035
Base-Backbone interact. energy: 0.393
local terms energy: -66.391471
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -99.324764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.324764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.324764 (E_RNA)
where:
Base-Base interactions energy: -39.710
where: short stacking energy: -39.710
Base-Backbone interact. energy: -0.405
local terms energy: -59.209863
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -96.633562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.633562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.633562 (E_RNA)
where:
Base-Base interactions energy: -42.904
where: short stacking energy: -36.197
Base-Backbone interact. energy: -0.550
local terms energy: -53.179499
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -136.793134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.793134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.793134 (E_RNA)
where:
Base-Base interactions energy: -78.758
where: short stacking energy: -38.930
Base-Backbone interact. energy: -1.396
local terms energy: -56.638865
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -91.075792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.075792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.075792 (E_RNA)
where:
Base-Base interactions energy: -42.162
where: short stacking energy: -24.206
Base-Backbone interact. energy: -1.053
local terms energy: -47.860832
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -252.378324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.378324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.378324 (E_RNA)
where:
Base-Base interactions energy: -175.111
where: short stacking energy: -68.420
Base-Backbone interact. energy: 0.010
local terms energy: -77.276526
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -239.595579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.595579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.595579 (E_RNA)
where:
Base-Base interactions energy: -158.845
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.287
local terms energy: -80.463878
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -204.024709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.024709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.024709 (E_RNA)
where:
Base-Base interactions energy: -136.501
where: short stacking energy: -63.396
Base-Backbone interact. energy: 1.268
local terms energy: -68.792049
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -16.005
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: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -215.580915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580915 (E_RNA)
where:
Base-Base interactions energy: -138.937
where: short stacking energy: -65.646
Base-Backbone interact. energy: -0.053
local terms energy: -76.591082
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -10.901
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: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -174.545313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.545313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.545313 (E_RNA)
where:
Base-Base interactions energy: -111.532
where: short stacking energy: -51.952
Base-Backbone interact. energy: -0.142
local terms energy: -62.872080
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -157.744207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.744207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.744207 (E_RNA)
where:
Base-Base interactions energy: -95.694
where: short stacking energy: -49.594
Base-Backbone interact. energy: -0.545
local terms energy: -61.505142
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -98.857506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.857506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.857506 (E_RNA)
where:
Base-Base interactions energy: -44.826
where: short stacking energy: -34.126
Base-Backbone interact. energy: -1.147
local terms energy: -52.884044
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -7.484
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -131.488883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.488883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.488883 (E_RNA)
where:
Base-Base interactions energy: -67.890
where: short stacking energy: -44.995
Base-Backbone interact. energy: -0.141
local terms energy: -63.458393
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -103.877595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.877595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.877595 (E_RNA)
where:
Base-Base interactions energy: -47.061
where: short stacking energy: -39.893
Base-Backbone interact. energy: -0.156
local terms energy: -56.660411
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -93.243188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.243188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.243188 (E_RNA)
where:
Base-Base interactions energy: -45.098
where: short stacking energy: -25.800
Base-Backbone interact. energy: -0.001
local terms energy: -48.143886
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -1.089
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: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -251.417193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.417193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.417193 (E_RNA)
where:
Base-Base interactions energy: -172.870
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.415
local terms energy: -78.132274
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -236.805116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.805116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.805116 (E_RNA)
where:
Base-Base interactions energy: -158.602
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.398
local terms energy: -77.805902
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -14.583
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: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -203.662223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.662223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.662223 (E_RNA)
where:
Base-Base interactions energy: -126.937
where: short stacking energy: -60.157
Base-Backbone interact. energy: -0.148
local terms energy: -76.577436
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -215.129439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.129439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.129439 (E_RNA)
where:
Base-Base interactions energy: -138.432
where: short stacking energy: -57.417
Base-Backbone interact. energy: -0.052
local terms energy: -76.645773
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -191.826513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.826513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.826513 (E_RNA)
where:
Base-Base interactions energy: -118.300
where: short stacking energy: -61.037
Base-Backbone interact. energy: 0.068
local terms energy: -73.593829
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -96.947324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.947324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.947324 (E_RNA)
where:
Base-Base interactions energy: -41.090
where: short stacking energy: -35.903
Base-Backbone interact. energy: -0.075
local terms energy: -55.782856
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -160.242408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.242408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.242408 (E_RNA)
where:
Base-Base interactions energy: -88.844
where: short stacking energy: -49.900
Base-Backbone interact. energy: -0.487
local terms energy: -70.911291
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -85.925306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.925306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.925306 (E_RNA)
where:
Base-Base interactions energy: -41.205
where: short stacking energy: -24.989
Base-Backbone interact. energy: -0.417
local terms energy: -44.303379
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: 4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -84.159467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.159467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.159467 (E_RNA)
where:
Base-Base interactions energy: -44.440
where: short stacking energy: -16.000
Base-Backbone interact. energy: 1.805
local terms energy: -41.524101
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -5.204
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: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -93.378207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.378207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.378207 (E_RNA)
where:
Base-Base interactions energy: -38.299
where: short stacking energy: -32.490
Base-Backbone interact. energy: -0.044
local terms energy: -55.035837
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -246.087927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.087927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.087927 (E_RNA)
where:
Base-Base interactions energy: -167.186
where: short stacking energy: -65.918
Base-Backbone interact. energy: 1.639
local terms energy: -80.540852
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -12.589
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: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -234.347977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.347977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.347977 (E_RNA)
where:
Base-Base interactions energy: -151.398
where: short stacking energy: -56.640
Base-Backbone interact. energy: -1.028
local terms energy: -81.922307
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -227.489780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.489780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.489780 (E_RNA)
where:
Base-Base interactions energy: -142.837
where: short stacking energy: -67.305
Base-Backbone interact. energy: -0.491
local terms energy: -84.161454
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -204.822069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.822069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.822069 (E_RNA)
where:
Base-Base interactions energy: -138.481
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.176
local terms energy: -66.164403
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -14.322
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: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -192.510851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.510851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.510851 (E_RNA)
where:
Base-Base interactions energy: -122.668
where: short stacking energy: -66.397
Base-Backbone interact. energy: 0.363
local terms energy: -70.206036
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -13.556
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: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -112.114745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.114745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.114745 (E_RNA)
where:
Base-Base interactions energy: -41.716
where: short stacking energy: -42.316
Base-Backbone interact. energy: -0.172
local terms energy: -70.227090
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -108.944641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.944641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.944641 (E_RNA)
where:
Base-Base interactions energy: -47.126
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.122
local terms energy: -61.697190
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -8.071
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: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -96.922871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.922871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.922871 (E_RNA)
where:
Base-Base interactions energy: -46.959
where: short stacking energy: -28.888
Base-Backbone interact. energy: 0.406
local terms energy: -50.369008
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -87.815585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815585 (E_RNA)
where:
Base-Base interactions energy: -33.222
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.033
local terms energy: -54.560277
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -6.910
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -93.909295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.909295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.909295 (E_RNA)
where:
Base-Base interactions energy: -44.866
where: short stacking energy: -28.512
Base-Backbone interact. energy: -1.457
local terms energy: -47.586517
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -249.335999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.335999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.335999 (E_RNA)
where:
Base-Base interactions energy: -176.495
where: short stacking energy: -72.106
Base-Backbone interact. energy: -0.286
local terms energy: -72.555297
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -232.831675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.831675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.831675 (E_RNA)
where:
Base-Base interactions energy: -151.375
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.242
local terms energy: -81.214973
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -221.811365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.811365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.811365 (E_RNA)
where:
Base-Base interactions energy: -142.431
where: short stacking energy: -77.111
Base-Backbone interact. energy: -0.002
local terms energy: -79.378787
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -201.585701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.585701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.585701 (E_RNA)
where:
Base-Base interactions energy: -128.444
where: short stacking energy: -64.804
Base-Backbone interact. energy: -0.028
local terms energy: -73.113777
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -23.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -181.770828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.770828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.770828 (E_RNA)
where:
Base-Base interactions energy: -107.590
where: short stacking energy: -49.695
Base-Backbone interact. energy: 0.353
local terms energy: -74.533883
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -101.843733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.843733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.843733 (E_RNA)
where:
Base-Base interactions energy: -63.146
where: short stacking energy: -31.989
Base-Backbone interact. energy: 1.302
local terms energy: -40.000153
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -2.211
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -101.448334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.448334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.448334 (E_RNA)
where:
Base-Base interactions energy: -38.669
where: short stacking energy: -29.917
Base-Backbone interact. energy: -0.109
local terms energy: -62.671134
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -82.723325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.723325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.723325 (E_RNA)
where:
Base-Base interactions energy: -30.837
where: short stacking energy: -21.671
Base-Backbone interact. energy: -0.260
local terms energy: -51.625938
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -10.786
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: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -99.373641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.373641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.373641 (E_RNA)
where:
Base-Base interactions energy: -49.836
where: short stacking energy: -31.524
Base-Backbone interact. energy: -0.216
local terms energy: -49.321772
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -91.696583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.696583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.696583 (E_RNA)
where:
Base-Base interactions energy: -43.455
where: short stacking energy: -21.093
Base-Backbone interact. energy: -0.225
local terms energy: -48.015693
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -6.105
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: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -250.761598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.761598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.761598 (E_RNA)
where:
Base-Base interactions energy: -173.218
where: short stacking energy: -76.876
Base-Backbone interact. energy: -0.218
local terms energy: -77.325430
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -236.470887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.470887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.470887 (E_RNA)
where:
Base-Base interactions energy: -153.866
where: short stacking energy: -78.944
Base-Backbone interact. energy: 0.621
local terms energy: -83.225602
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -222.972501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.972501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.972501 (E_RNA)
where:
Base-Base interactions energy: -147.620
where: short stacking energy: -72.154
Base-Backbone interact. energy: 0.499
local terms energy: -75.851381
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -225.489407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.489407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.489407 (E_RNA)
where:
Base-Base interactions energy: -139.470
where: short stacking energy: -73.682
Base-Backbone interact. energy: -0.032
local terms energy: -85.986645
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -22.477
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: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -214.231227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.231227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.231227 (E_RNA)
where:
Base-Base interactions energy: -142.804
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.041
local terms energy: -71.386056
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -122.548915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.548915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.548915 (E_RNA)
where:
Base-Base interactions energy: -55.006
where: short stacking energy: -52.250
Base-Backbone interact. energy: -0.048
local terms energy: -67.494972
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -100.461989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.461989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.461989 (E_RNA)
where:
Base-Base interactions energy: -47.219
where: short stacking energy: -37.225
Base-Backbone interact. energy: -0.295
local terms energy: -52.948076
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -106.574326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.574326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.574326 (E_RNA)
where:
Base-Base interactions energy: -45.082
where: short stacking energy: -45.082
Base-Backbone interact. energy: -0.103
local terms energy: -61.388826
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -127.668146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.668146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.668146 (E_RNA)
where:
Base-Base interactions energy: -75.162
where: short stacking energy: -41.648
Base-Backbone interact. energy: -0.368
local terms energy: -52.138105
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -80.660862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.660862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.660862 (E_RNA)
where:
Base-Base interactions energy: -27.435
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.211
local terms energy: -53.014956
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -0.012
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: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -265.463038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.463038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.463038 (E_RNA)
where:
Base-Base interactions energy: -180.516
where: short stacking energy: -76.507
Base-Backbone interact. energy: 0.995
local terms energy: -85.941923
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -240.594073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.594073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.594073 (E_RNA)
where:
Base-Base interactions energy: -166.664
where: short stacking energy: -76.094
Base-Backbone interact. energy: -0.777
local terms energy: -73.152238
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -204.322881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.322881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.322881 (E_RNA)
where:
Base-Base interactions energy: -139.109
where: short stacking energy: -50.308
Base-Backbone interact. energy: 1.137
local terms energy: -66.350674
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -236.080899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.080899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.080899 (E_RNA)
where:
Base-Base interactions energy: -162.829
where: short stacking energy: -62.932
Base-Backbone interact. energy: -0.243
local terms energy: -73.008891
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -205.129190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.129190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.129190 (E_RNA)
where:
Base-Base interactions energy: -124.068
where: short stacking energy: -68.921
Base-Backbone interact. energy: -0.069
local terms energy: -80.992392
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -17.121
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: 399
Temperature: 1.150000
Total energy: -131.322896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.322896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.322896 (E_RNA)
where:
Base-Base interactions energy: -73.303
where: short stacking energy: -34.152
Base-Backbone interact. energy: -0.351
local terms energy: -57.668729
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -109.412256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.412256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.412256 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -37.918
Base-Backbone interact. energy: -0.127
local terms energy: -63.394600
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -11.002
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: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -95.866305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866305 (E_RNA)
where:
Base-Base interactions energy: -40.418
where: short stacking energy: -40.418
Base-Backbone interact. energy: -0.041
local terms energy: -55.407562
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -6.124
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: 9, replica: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -87.734307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.734307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.734307 (E_RNA)
where:
Base-Base interactions energy: -42.871
where: short stacking energy: -23.356
Base-Backbone interact. energy: -0.418
local terms energy: -44.445296
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -72.280297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.280297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.280297 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -25.554
Base-Backbone interact. energy: 0.703
local terms energy: -44.799232
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: 2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -242.170640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.170640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.170640 (E_RNA)
where:
Base-Base interactions energy: -163.747
where: short stacking energy: -70.853
Base-Backbone interact. energy: -0.972
local terms energy: -77.451485
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -19.489
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: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -255.588621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.588621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.588621 (E_RNA)
where:
Base-Base interactions energy: -171.409
where: short stacking energy: -72.497
Base-Backbone interact. energy: -0.089
local terms energy: -84.090738
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -245.973325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.973325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.973325 (E_RNA)
where:
Base-Base interactions energy: -177.457
where: short stacking energy: -65.241
Base-Backbone interact. energy: -0.037
local terms energy: -68.479551
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -9.968
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: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -199.047626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.047626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.047626 (E_RNA)
where:
Base-Base interactions energy: -131.440
where: short stacking energy: -72.955
Base-Backbone interact. energy: 0.417
local terms energy: -68.024668
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -2.735
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: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -210.312820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.312820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.312820 (E_RNA)
where:
Base-Base interactions energy: -129.764
where: short stacking energy: -63.088
Base-Backbone interact. energy: -0.057
local terms energy: -80.491526
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -143.371587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.371587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.371587 (E_RNA)
where:
Base-Base interactions energy: -75.015
where: short stacking energy: -41.385
Base-Backbone interact. energy: 0.946
local terms energy: -69.302645
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -98.189379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.189379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.189379 (E_RNA)
where:
Base-Base interactions energy: -38.008
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.551
local terms energy: -59.629753
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -88.038159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.038159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.038159 (E_RNA)
where:
Base-Base interactions energy: -31.780
where: short stacking energy: -30.506
Base-Backbone interact. energy: 1.337
local terms energy: -57.595387
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -1.613
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: 400
Temperature: 1.300000
Total energy: -84.698411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.698411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.698411 (E_RNA)
where:
Base-Base interactions energy: -25.347
where: short stacking energy: -23.806
Base-Backbone interact. energy: 0.429
local terms energy: -59.780248
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -10.863
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: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -93.278809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278809 (E_RNA)
where:
Base-Base interactions energy: -43.896
where: short stacking energy: -43.397
Base-Backbone interact. energy: 0.963
local terms energy: -50.346111
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -0.689
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -239.064799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.064799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.064799 (E_RNA)
where:
Base-Base interactions energy: -154.594
where: short stacking energy: -63.461
Base-Backbone interact. energy: -0.280
local terms energy: -84.190743
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -14.827
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: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -248.076515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.076515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.076515 (E_RNA)
where:
Base-Base interactions energy: -164.950
where: short stacking energy: -63.846
Base-Backbone interact. energy: -0.011
local terms energy: -83.115526
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -246.822336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.822336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.822336 (E_RNA)
where:
Base-Base interactions energy: -164.010
where: short stacking energy: -68.215
Base-Backbone interact. energy: -0.192
local terms energy: -82.620556
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -224.475946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.475946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.475946 (E_RNA)
where:
Base-Base interactions energy: -151.403
where: short stacking energy: -73.140
Base-Backbone interact. energy: -0.350
local terms energy: -72.723455
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -193.998259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.998259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.998259 (E_RNA)
where:
Base-Base interactions energy: -118.103
where: short stacking energy: -53.900
Base-Backbone interact. energy: -0.027
local terms energy: -75.868024
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -109.185546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.185546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.185546 (E_RNA)
where:
Base-Base interactions energy: -51.354
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.126
local terms energy: -57.704677
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -8.098
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: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -145.855988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.855988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.855988 (E_RNA)
where:
Base-Base interactions energy: -85.162
where: short stacking energy: -43.182
Base-Backbone interact. energy: -0.748
local terms energy: -59.946012
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -104.895665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.895665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.895665 (E_RNA)
where:
Base-Base interactions energy: -52.656
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.038
local terms energy: -52.202313
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -98.945307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.945307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.945307 (E_RNA)
where:
Base-Base interactions energy: -45.660
where: short stacking energy: -37.367
Base-Backbone interact. energy: -0.062
local terms energy: -53.223491
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.382
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: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -82.372503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.372503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.372503 (E_RNA)
where:
Base-Base interactions energy: -34.827
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.145
local terms energy: -47.400303
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -2.806
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -250.471385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.471385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.471385 (E_RNA)
where:
Base-Base interactions energy: -177.034
where: short stacking energy: -67.054
Base-Backbone interact. energy: -0.203
local terms energy: -73.234466
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -237.846941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.846941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.846941 (E_RNA)
where:
Base-Base interactions energy: -154.751
where: short stacking energy: -68.389
Base-Backbone interact. energy: 0.366
local terms energy: -83.461167
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -20.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -219.400242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.400242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.400242 (E_RNA)
where:
Base-Base interactions energy: -143.070
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.627
local terms energy: -75.703414
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -19.569
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: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -235.578568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.578568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.578568 (E_RNA)
where:
Base-Base interactions energy: -160.009
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.250
local terms energy: -75.319401
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -172.318748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.318748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.318748 (E_RNA)
where:
Base-Base interactions energy: -108.285
where: short stacking energy: -54.209
Base-Backbone interact. energy: -0.016
local terms energy: -64.017137
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -109.000216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.000216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.000216 (E_RNA)
where:
Base-Base interactions energy: -56.431
where: short stacking energy: -41.715
Base-Backbone interact. energy: -0.093
local terms energy: -52.476418
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -153.900607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.900607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.900607 (E_RNA)
where:
Base-Base interactions energy: -85.616
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.083
local terms energy: -68.201882
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -82.877069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.877069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.877069 (E_RNA)
where:
Base-Base interactions energy: -36.407
where: short stacking energy: -35.379
Base-Backbone interact. energy: 3.167
local terms energy: -49.637587
where:
bonds (distance) C4'-P energy: -4.656
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -10.083
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: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -81.097308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.097308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.097308 (E_RNA)
where:
Base-Base interactions energy: -23.687
where: short stacking energy: -20.273
Base-Backbone interact. energy: -0.172
local terms energy: -57.238035
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -10.615
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: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -74.829363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.829363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.829363 (E_RNA)
where:
Base-Base interactions energy: -34.965
where: short stacking energy: -26.371
Base-Backbone interact. energy: -0.272
local terms energy: -39.592365
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -7.289
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: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -241.962359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.962359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.962359 (E_RNA)
where:
Base-Base interactions energy: -160.112
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.346
local terms energy: -81.504465
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -12.654
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: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -219.691565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.691565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.691565 (E_RNA)
where:
Base-Base interactions energy: -143.235
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.609
local terms energy: -75.848086
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -11.408
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: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -227.595975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.595975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.595975 (E_RNA)
where:
Base-Base interactions energy: -158.488
where: short stacking energy: -75.854
Base-Backbone interact. energy: 0.071
local terms energy: -69.179315
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -18.701
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: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -222.274466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.274466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.274466 (E_RNA)
where:
Base-Base interactions energy: -145.329
where: short stacking energy: -60.717
Base-Backbone interact. energy: -0.194
local terms energy: -76.750908
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -17.652
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: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -173.118776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.118776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.118776 (E_RNA)
where:
Base-Base interactions energy: -105.705
where: short stacking energy: -48.354
Base-Backbone interact. energy: -0.059
local terms energy: -67.354764
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -2.728
tors. eta vs tors. theta energy: -12.165
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: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -175.568438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.568438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.568438 (E_RNA)
where:
Base-Base interactions energy: -101.532
where: short stacking energy: -54.701
Base-Backbone interact. energy: -0.140
local terms energy: -73.896178
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -138.460310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.460310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.460310 (E_RNA)
where:
Base-Base interactions energy: -76.393
where: short stacking energy: -47.057
Base-Backbone interact. energy: -0.400
local terms energy: -61.667464
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -95.810494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.810494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.810494 (E_RNA)
where:
Base-Base interactions energy: -43.358
where: short stacking energy: -36.323
Base-Backbone interact. energy: -0.445
local terms energy: -52.007437
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -90.714625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.714625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.714625 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -32.332
Base-Backbone interact. energy: -0.012
local terms energy: -58.912198
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -84.706194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.706194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.706194 (E_RNA)
where:
Base-Base interactions energy: -24.234
where: short stacking energy: -24.234
Base-Backbone interact. energy: -2.355
local terms energy: -58.116734
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -239.663212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.663212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.663212 (E_RNA)
where:
Base-Base interactions energy: -156.771
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.417
local terms energy: -82.475425
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -19.073
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: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -238.307198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.307198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.307198 (E_RNA)
where:
Base-Base interactions energy: -151.480
where: short stacking energy: -76.660
Base-Backbone interact. energy: -0.081
local terms energy: -86.745616
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -227.946189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.946189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.946189 (E_RNA)
where:
Base-Base interactions energy: -148.418
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.325
local terms energy: -79.203071
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -9.964
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: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -233.138012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.138012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.138012 (E_RNA)
where:
Base-Base interactions energy: -159.818
where: short stacking energy: -68.248
Base-Backbone interact. energy: 3.317
local terms energy: -76.637329
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -169.821648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.821648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.821648 (E_RNA)
where:
Base-Base interactions energy: -106.067
where: short stacking energy: -53.605
Base-Backbone interact. energy: 1.274
local terms energy: -65.028990
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -11.762
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: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -171.955727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.955727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.955727 (E_RNA)
where:
Base-Base interactions energy: -101.028
where: short stacking energy: -44.677
Base-Backbone interact. energy: -0.674
local terms energy: -70.254210
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -97.165016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.165016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.165016 (E_RNA)
where:
Base-Base interactions energy: -49.534
where: short stacking energy: -32.681
Base-Backbone interact. energy: 2.215
local terms energy: -49.846402
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -93.840657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.840657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.840657 (E_RNA)
where:
Base-Base interactions energy: -35.925
where: short stacking energy: -34.466
Base-Backbone interact. energy: 0.201
local terms energy: -58.116292
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -9.047
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: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -100.607498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.607498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.607498 (E_RNA)
where:
Base-Base interactions energy: -41.727
where: short stacking energy: -25.326
Base-Backbone interact. energy: 0.028
local terms energy: -58.908625
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -90.257557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.257557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.257557 (E_RNA)
where:
Base-Base interactions energy: -35.704
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.143
local terms energy: -54.410035
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -246.758497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.758497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.758497 (E_RNA)
where:
Base-Base interactions energy: -169.202
where: short stacking energy: -72.839
Base-Backbone interact. energy: -0.426
local terms energy: -77.130200
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -234.948643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.948643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.948643 (E_RNA)
where:
Base-Base interactions energy: -147.716
where: short stacking energy: -80.115
Base-Backbone interact. energy: -0.006
local terms energy: -87.226357
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -240.563620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.563620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.563620 (E_RNA)
where:
Base-Base interactions energy: -159.925
where: short stacking energy: -71.991
Base-Backbone interact. energy: 0.289
local terms energy: -80.927798
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -239.788434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.788434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.788434 (E_RNA)
where:
Base-Base interactions energy: -155.496
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.232
local terms energy: -84.060603
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -168.782926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.782926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.782926 (E_RNA)
where:
Base-Base interactions energy: -105.238
where: short stacking energy: -49.451
Base-Backbone interact. energy: -0.204
local terms energy: -63.340556
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -184.625721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.625721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.625721 (E_RNA)
where:
Base-Base interactions energy: -111.176
where: short stacking energy: -59.480
Base-Backbone interact. energy: -0.071
local terms energy: -73.378059
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -108.001445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.001445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.001445 (E_RNA)
where:
Base-Base interactions energy: -51.152
where: short stacking energy: -50.674
Base-Backbone interact. energy: -0.032
local terms energy: -56.817056
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -88.207846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.207846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.207846 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -30.873
Base-Backbone interact. energy: -0.057
local terms energy: -57.277805
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -87.451720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.451720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.451720 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -21.710
Base-Backbone interact. energy: -0.127
local terms energy: -48.762392
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -88.047067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047067 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -33.112
Base-Backbone interact. energy: -0.018
local terms energy: -53.467442
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -4.443
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: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -244.920996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.920996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.920996 (E_RNA)
where:
Base-Base interactions energy: -154.319
where: short stacking energy: -84.433
Base-Backbone interact. energy: -0.034
local terms energy: -90.568473
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -26.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -244.549849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.549849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.549849 (E_RNA)
where:
Base-Base interactions energy: -169.324
where: short stacking energy: -71.077
Base-Backbone interact. energy: -0.040
local terms energy: -75.185749
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -236.001604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.001604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.001604 (E_RNA)
where:
Base-Base interactions energy: -157.259
where: short stacking energy: -72.890
Base-Backbone interact. energy: -0.186
local terms energy: -78.557226
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -228.414533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.414533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.414533 (E_RNA)
where:
Base-Base interactions energy: -157.186
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.239
local terms energy: -70.989311
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -10.245
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: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -188.987128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.987128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.987128 (E_RNA)
where:
Base-Base interactions energy: -112.805
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.211
local terms energy: -75.970615
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -148.161055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.161055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.161055 (E_RNA)
where:
Base-Base interactions energy: -84.601
where: short stacking energy: -50.653
Base-Backbone interact. energy: -0.788
local terms energy: -62.772819
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -96.851897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.851897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.851897 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -36.789
Base-Backbone interact. energy: -0.065
local terms energy: -59.997994
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -6.114
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: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -87.930068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.930068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.930068 (E_RNA)
where:
Base-Base interactions energy: -40.802
where: short stacking energy: -31.116
Base-Backbone interact. energy: -0.526
local terms energy: -46.602259
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -91.242085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.242085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.242085 (E_RNA)
where:
Base-Base interactions energy: -42.363
where: short stacking energy: -25.409
Base-Backbone interact. energy: -0.061
local terms energy: -48.817743
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -7.311
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: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -84.369472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.369472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.369472 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -28.321
Base-Backbone interact. energy: -0.246
local terms energy: -54.876277
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -5.617
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: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -234.128406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.128406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.128406 (E_RNA)
where:
Base-Base interactions energy: -149.109
where: short stacking energy: -76.481
Base-Backbone interact. energy: -0.054
local terms energy: -84.965158
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -245.602146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.602146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.602146 (E_RNA)
where:
Base-Base interactions energy: -174.943
where: short stacking energy: -70.007
Base-Backbone interact. energy: 0.799
local terms energy: -71.458007
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -241.585512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.585512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.585512 (E_RNA)
where:
Base-Base interactions energy: -171.272
where: short stacking energy: -70.921
Base-Backbone interact. energy: -0.342
local terms energy: -69.971111
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -19.116
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: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -227.616889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.616889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.616889 (E_RNA)
where:
Base-Base interactions energy: -148.567
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.432
local terms energy: -78.617930
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -20.231
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: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -153.007324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.007324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.007324 (E_RNA)
where:
Base-Base interactions energy: -89.115
where: short stacking energy: -48.282
Base-Backbone interact. energy: -0.575
local terms energy: -63.316680
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -166.236238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.236238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.236238 (E_RNA)
where:
Base-Base interactions energy: -103.726
where: short stacking energy: -62.680
Base-Backbone interact. energy: -0.055
local terms energy: -62.454991
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -105.866877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.866877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.866877 (E_RNA)
where:
Base-Base interactions energy: -40.345
where: short stacking energy: -40.345
Base-Backbone interact. energy: -0.005
local terms energy: -65.517214
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -90.004411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.004411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.004411 (E_RNA)
where:
Base-Base interactions energy: -34.378
where: short stacking energy: -31.139
Base-Backbone interact. energy: -0.379
local terms energy: -55.248097
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -7.676
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: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -92.807240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.807240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.807240 (E_RNA)
where:
Base-Base interactions energy: -32.348
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.040
local terms energy: -60.419390
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -12.263
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: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -91.009712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.009712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.009712 (E_RNA)
where:
Base-Base interactions energy: -41.935
where: short stacking energy: -33.979
Base-Backbone interact. energy: 0.624
local terms energy: -49.698177
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -6.247
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: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -250.416160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.416160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.416160 (E_RNA)
where:
Base-Base interactions energy: -165.086
where: short stacking energy: -70.446
Base-Backbone interact. energy: -0.815
local terms energy: -84.515608
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -19.373
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: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -228.816642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.816642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.816642 (E_RNA)
where:
Base-Base interactions energy: -139.645
where: short stacking energy: -75.064
Base-Backbone interact. energy: -0.001
local terms energy: -89.171134
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -237.587053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.587053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.587053 (E_RNA)
where:
Base-Base interactions energy: -165.354
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.757
local terms energy: -71.475566
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -11.688
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: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -231.841129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.841129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.841129 (E_RNA)
where:
Base-Base interactions energy: -150.182
where: short stacking energy: -63.530
Base-Backbone interact. energy: -0.300
local terms energy: -81.359169
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -170.452984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.452984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.452984 (E_RNA)
where:
Base-Base interactions energy: -106.625
where: short stacking energy: -45.947
Base-Backbone interact. energy: -0.286
local terms energy: -63.542635
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -170.865524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.865524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.865524 (E_RNA)
where:
Base-Base interactions energy: -98.544
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.127
local terms energy: -72.194708
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -127.060942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.060942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.060942 (E_RNA)
where:
Base-Base interactions energy: -71.740
where: short stacking energy: -38.728
Base-Backbone interact. energy: -0.184
local terms energy: -55.137669
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -101.291186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.291186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.291186 (E_RNA)
where:
Base-Base interactions energy: -48.279
where: short stacking energy: -29.527
Base-Backbone interact. energy: -0.226
local terms energy: -52.786149
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -5.990
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: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -79.827811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.827811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.827811 (E_RNA)
where:
Base-Base interactions energy: -33.498
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.624
local terms energy: -45.705172
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: 3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -86.523002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.523002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.523002 (E_RNA)
where:
Base-Base interactions energy: -41.886
where: short stacking energy: -15.347
Base-Backbone interact. energy: -0.305
local terms energy: -44.331493
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: 1.105
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: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -247.221846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.221846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.221846 (E_RNA)
where:
Base-Base interactions energy: -165.427
where: short stacking energy: -79.220
Base-Backbone interact. energy: -0.522
local terms energy: -81.273441
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -238.917850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.917850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.917850 (E_RNA)
where:
Base-Base interactions energy: -163.917
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.310
local terms energy: -74.690429
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -233.415889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.415889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.415889 (E_RNA)
where:
Base-Base interactions energy: -158.792
where: short stacking energy: -83.924
Base-Backbone interact. energy: -0.184
local terms energy: -74.439402
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -233.182181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.182181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.182181 (E_RNA)
where:
Base-Base interactions energy: -153.760
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.616
local terms energy: -78.805526
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -19.380
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: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -164.209002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.209002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.209002 (E_RNA)
where:
Base-Base interactions energy: -90.193
where: short stacking energy: -57.194
Base-Backbone interact. energy: -0.020
local terms energy: -73.995622
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -14.383
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: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -169.435081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.435081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.435081 (E_RNA)
where:
Base-Base interactions energy: -100.808
where: short stacking energy: -60.104
Base-Backbone interact. energy: 1.183
local terms energy: -69.810433
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.990
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: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -88.908434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.908434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.908434 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -25.446
Base-Backbone interact. energy: -1.246
local terms energy: -49.875360
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -98.054247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.054247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.054247 (E_RNA)
where:
Base-Base interactions energy: -39.367
where: short stacking energy: -22.983
Base-Backbone interact. energy: -1.936
local terms energy: -56.750694
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -85.891764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.891764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.891764 (E_RNA)
where:
Base-Base interactions energy: -27.573
where: short stacking energy: -23.638
Base-Backbone interact. energy: -0.213
local terms energy: -58.105566
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -85.563831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.563831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.563831 (E_RNA)
where:
Base-Base interactions energy: -31.334
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.188
local terms energy: -54.041691
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -234.735389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.735389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.735389 (E_RNA)
where:
Base-Base interactions energy: -154.564
where: short stacking energy: -73.663
Base-Backbone interact. energy: -0.393
local terms energy: -79.778345
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -252.767469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.767469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.767469 (E_RNA)
where:
Base-Base interactions energy: -172.706
where: short stacking energy: -74.466
Base-Backbone interact. energy: -0.087
local terms energy: -79.974554
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -8.421
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: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -239.988584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.988584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.988584 (E_RNA)
where:
Base-Base interactions energy: -165.122
where: short stacking energy: -69.717
Base-Backbone interact. energy: -0.362
local terms energy: -74.504855
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -18.464
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: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -219.114284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.114284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.114284 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.386
local terms energy: -78.045721
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -156.114380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.114380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.114380 (E_RNA)
where:
Base-Base interactions energy: -88.592
where: short stacking energy: -49.670
Base-Backbone interact. energy: -0.184
local terms energy: -67.338563
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -160.176367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.176367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.176367 (E_RNA)
where:
Base-Base interactions energy: -97.206
where: short stacking energy: -44.627
Base-Backbone interact. energy: 0.007
local terms energy: -62.977803
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -94.668326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.668326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.668326 (E_RNA)
where:
Base-Base interactions energy: -44.666
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.084
local terms energy: -49.918307
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -110.471053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.471053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.471053 (E_RNA)
where:
Base-Base interactions energy: -62.768
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.540
local terms energy: -47.162971
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -10.109
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: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -89.153798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.153798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.153798 (E_RNA)
where:
Base-Base interactions energy: -39.744
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.842
local terms energy: -48.567170
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -84.849531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.849531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.849531 (E_RNA)
where:
Base-Base interactions energy: -28.140
where: short stacking energy: -25.033
Base-Backbone interact. energy: 0.109
local terms energy: -56.818967
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -1.166
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: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -247.635708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.635708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.635708 (E_RNA)
where:
Base-Base interactions energy: -166.206
where: short stacking energy: -67.643
Base-Backbone interact. energy: -0.085
local terms energy: -81.344999
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -248.233848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.233848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.233848 (E_RNA)
where:
Base-Base interactions energy: -171.272
where: short stacking energy: -71.549
Base-Backbone interact. energy: 0.550
local terms energy: -77.511354
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -229.742886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.742886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.742886 (E_RNA)
where:
Base-Base interactions energy: -156.959
where: short stacking energy: -70.123
Base-Backbone interact. energy: -1.098
local terms energy: -71.685367
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -17.805
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: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -218.797231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.797231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.797231 (E_RNA)
where:
Base-Base interactions energy: -137.928
where: short stacking energy: -61.775
Base-Backbone interact. energy: -0.740
local terms energy: -80.129157
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -158.373999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.373999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.373999 (E_RNA)
where:
Base-Base interactions energy: -92.749
where: short stacking energy: -44.498
Base-Backbone interact. energy: -0.170
local terms energy: -65.454275
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -149.066950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.066950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.066950 (E_RNA)
where:
Base-Base interactions energy: -82.583
where: short stacking energy: -48.651
Base-Backbone interact. energy: 1.206
local terms energy: -67.689263
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -96.715972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.715972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.715972 (E_RNA)
where:
Base-Base interactions energy: -38.816
where: short stacking energy: -38.816
Base-Backbone interact. energy: -0.810
local terms energy: -57.089817
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -8.578
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: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -103.376779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.376779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.376779 (E_RNA)
where:
Base-Base interactions energy: -60.182
where: short stacking energy: -23.953
Base-Backbone interact. energy: -0.291
local terms energy: -42.904168
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -4.518
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: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -91.229091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.229091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.229091 (E_RNA)
where:
Base-Base interactions energy: -46.683
where: short stacking energy: -28.250
Base-Backbone interact. energy: -1.882
local terms energy: -42.664086
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -4.358
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: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -81.833145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.833145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.833145 (E_RNA)
where:
Base-Base interactions energy: -31.923
where: short stacking energy: -23.944
Base-Backbone interact. energy: -0.019
local terms energy: -49.890387
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -1.128
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: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -244.673153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.673153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.673153 (E_RNA)
where:
Base-Base interactions energy: -172.932
where: short stacking energy: -65.059
Base-Backbone interact. energy: -0.445
local terms energy: -71.296464
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -245.227239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.227239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.227239 (E_RNA)
where:
Base-Base interactions energy: -169.437
where: short stacking energy: -68.512
Base-Backbone interact. energy: -0.175
local terms energy: -75.614630
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -17.926
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: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -215.776633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.776633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.776633 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.085
local terms energy: -73.728913
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -12.046
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: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -228.672591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.672591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.672591 (E_RNA)
where:
Base-Base interactions energy: -152.617
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.535
local terms energy: -75.520898
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -160.401412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.401412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.401412 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -46.267
Base-Backbone interact. energy: 0.294
local terms energy: -63.652733
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -151.860455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.860455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.860455 (E_RNA)
where:
Base-Base interactions energy: -83.382
where: short stacking energy: -46.676
Base-Backbone interact. energy: -0.144
local terms energy: -68.333681
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -97.078567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.078567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.078567 (E_RNA)
where:
Base-Base interactions energy: -38.979
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.433
local terms energy: -57.666839
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -98.952838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.952838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.952838 (E_RNA)
where:
Base-Base interactions energy: -39.840
where: short stacking energy: -37.116
Base-Backbone interact. energy: -0.111
local terms energy: -59.001947
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -97.253048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.253048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.253048 (E_RNA)
where:
Base-Base interactions energy: -38.263
where: short stacking energy: -34.558
Base-Backbone interact. energy: -0.168
local terms energy: -58.821536
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.536
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: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -79.851770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.851770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.851770 (E_RNA)
where:
Base-Base interactions energy: -25.568
where: short stacking energy: -22.706
Base-Backbone interact. energy: -0.400
local terms energy: -53.884378
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -246.680737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.680737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.680737 (E_RNA)
where:
Base-Base interactions energy: -171.234
where: short stacking energy: -63.235
Base-Backbone interact. energy: 0.614
local terms energy: -76.060542
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -256.421563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.421563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.421563 (E_RNA)
where:
Base-Base interactions energy: -174.818
where: short stacking energy: -81.864
Base-Backbone interact. energy: -0.461
local terms energy: -81.141878
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -210.791630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.791630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.791630 (E_RNA)
where:
Base-Base interactions energy: -135.237
where: short stacking energy: -56.136
Base-Backbone interact. energy: -0.026
local terms energy: -75.528715
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -14.841
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -228.988649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.988649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.988649 (E_RNA)
where:
Base-Base interactions energy: -153.326
where: short stacking energy: -76.978
Base-Backbone interact. energy: -0.587
local terms energy: -75.075651
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.524
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: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -168.531319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.531319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.531319 (E_RNA)
where:
Base-Base interactions energy: -106.985
where: short stacking energy: -48.754
Base-Backbone interact. energy: -0.819
local terms energy: -60.727587
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -6.227
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: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -125.535642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.535642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.535642 (E_RNA)
where:
Base-Base interactions energy: -72.495
where: short stacking energy: -47.612
Base-Backbone interact. energy: -0.647
local terms energy: -52.393438
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -8.776
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -94.885401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.885401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.885401 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -32.235
Base-Backbone interact. energy: 0.192
local terms energy: -62.042103
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -106.464945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.464945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.464945 (E_RNA)
where:
Base-Base interactions energy: -48.403
where: short stacking energy: -37.260
Base-Backbone interact. energy: -1.498
local terms energy: -56.564249
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -84.707237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.707237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.707237 (E_RNA)
where:
Base-Base interactions energy: -26.618
where: short stacking energy: -22.546
Base-Backbone interact. energy: -0.336
local terms energy: -57.753265
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: 0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -93.627704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.627704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.627704 (E_RNA)
where:
Base-Base interactions energy: -32.647
where: short stacking energy: -31.770
Base-Backbone interact. energy: 0.294
local terms energy: -61.274547
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -11.344
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: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -257.475602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.475602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.475602 (E_RNA)
where:
Base-Base interactions energy: -174.617
where: short stacking energy: -73.711
Base-Backbone interact. energy: -0.726
local terms energy: -82.132621
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -12.691
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: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -242.876770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.876770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.876770 (E_RNA)
where:
Base-Base interactions energy: -170.113
where: short stacking energy: -66.671
Base-Backbone interact. energy: -0.203
local terms energy: -72.561005
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -239.092133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.092133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.092133 (E_RNA)
where:
Base-Base interactions energy: -166.664
where: short stacking energy: -66.461
Base-Backbone interact. energy: -0.149
local terms energy: -72.279279
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -7.608
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: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -208.616386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.616386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.616386 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.114
local terms energy: -81.501485
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -11.798
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: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -168.108425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.108425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.108425 (E_RNA)
where:
Base-Base interactions energy: -105.938
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.048
local terms energy: -62.121942
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -95.079175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.079175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.079175 (E_RNA)
where:
Base-Base interactions energy: -46.228
where: short stacking energy: -30.554
Base-Backbone interact. energy: -1.272
local terms energy: -47.579464
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -98.039686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.039686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.039686 (E_RNA)
where:
Base-Base interactions energy: -42.682
where: short stacking energy: -36.055
Base-Backbone interact. energy: -0.026
local terms energy: -55.331577
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -1.351
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -96.955616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.955616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.955616 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -35.618
Base-Backbone interact. energy: -0.143
local terms energy: -62.394369
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -90.436813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.436813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.436813 (E_RNA)
where:
Base-Base interactions energy: -36.397
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.560
local terms energy: -53.479909
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -85.042762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.042762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.042762 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.827
local terms energy: -52.417161
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -9.725
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: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -259.494065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.494065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.494065 (E_RNA)
where:
Base-Base interactions energy: -177.996
where: short stacking energy: -77.303
Base-Backbone interact. energy: -0.144
local terms energy: -81.354513
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -236.748226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.748226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.748226 (E_RNA)
where:
Base-Base interactions energy: -162.947
where: short stacking energy: -78.585
Base-Backbone interact. energy: -0.366
local terms energy: -73.434284
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -232.227327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.227327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.227327 (E_RNA)
where:
Base-Base interactions energy: -158.269
where: short stacking energy: -62.069
Base-Backbone interact. energy: -0.147
local terms energy: -73.811389
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -206.949123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.949123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.949123 (E_RNA)
where:
Base-Base interactions energy: -131.466
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.478
local terms energy: -75.005118
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -12.400
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: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -180.650995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.650995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.650995 (E_RNA)
where:
Base-Base interactions energy: -108.324
where: short stacking energy: -61.314
Base-Backbone interact. energy: -0.005
local terms energy: -72.322692
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -109.158292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.158292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.158292 (E_RNA)
where:
Base-Base interactions energy: -51.880
where: short stacking energy: -41.150
Base-Backbone interact. energy: -0.308
local terms energy: -56.970383
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -0.948
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: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -109.752029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.752029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.752029 (E_RNA)
where:
Base-Base interactions energy: -57.436
where: short stacking energy: -41.723
Base-Backbone interact. energy: 0.773
local terms energy: -53.088769
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -8.009
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: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -100.335610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.335610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.335610 (E_RNA)
where:
Base-Base interactions energy: -41.011
where: short stacking energy: -41.011
Base-Backbone interact. energy: -0.110
local terms energy: -59.214855
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -88.000915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.000915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.000915 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -26.596
Base-Backbone interact. energy: 0.596
local terms energy: -57.712548
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -75.736598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.736598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.736598 (E_RNA)
where:
Base-Base interactions energy: -21.299
where: short stacking energy: -17.023
Base-Backbone interact. energy: -0.099
local terms energy: -54.338292
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -257.366979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.366979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.366979 (E_RNA)
where:
Base-Base interactions energy: -174.331
where: short stacking energy: -71.973
Base-Backbone interact. energy: 1.297
local terms energy: -84.332980
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -229.907800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.907800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.907800 (E_RNA)
where:
Base-Base interactions energy: -153.225
where: short stacking energy: -75.983
Base-Backbone interact. energy: -0.112
local terms energy: -76.570348
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -236.688843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.688843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.688843 (E_RNA)
where:
Base-Base interactions energy: -154.775
where: short stacking energy: -68.292
Base-Backbone interact. energy: -0.572
local terms energy: -81.342018
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -202.454532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.454532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.454532 (E_RNA)
where:
Base-Base interactions energy: -139.404
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.506
local terms energy: -62.545154
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -106.914864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.914864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.914864 (E_RNA)
where:
Base-Base interactions energy: -45.935
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.054
local terms energy: -60.925352
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -177.671140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.671140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.671140 (E_RNA)
where:
Base-Base interactions energy: -109.333
where: short stacking energy: -66.935
Base-Backbone interact. energy: -1.291
local terms energy: -67.046378
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -15.073
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: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -93.406230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.406230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.406230 (E_RNA)
where:
Base-Base interactions energy: -39.425
where: short stacking energy: -32.099
Base-Backbone interact. energy: -0.330
local terms energy: -53.650931
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -101.811810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.811810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.811810 (E_RNA)
where:
Base-Base interactions energy: -44.894
where: short stacking energy: -39.529
Base-Backbone interact. energy: -0.120
local terms energy: -56.797864
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -13.662
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: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -82.849550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.849550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.849550 (E_RNA)
where:
Base-Base interactions energy: -31.890
where: short stacking energy: -25.396
Base-Backbone interact. energy: -0.398
local terms energy: -50.561800
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -83.510378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.510378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.510378 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -30.189
Base-Backbone interact. energy: -0.145
local terms energy: -50.579997
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -259.190977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.190977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.190977 (E_RNA)
where:
Base-Base interactions energy: -175.319
where: short stacking energy: -74.208
Base-Backbone interact. energy: -1.208
local terms energy: -82.664842
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -239.982442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.982442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.982442 (E_RNA)
where:
Base-Base interactions energy: -169.119
where: short stacking energy: -73.277
Base-Backbone interact. energy: -0.130
local terms energy: -70.732848
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -11.747
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: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -230.146996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.146996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.146996 (E_RNA)
where:
Base-Base interactions energy: -161.795
where: short stacking energy: -62.691
Base-Backbone interact. energy: -0.564
local terms energy: -67.788070
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -217.481930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.481930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.481930 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -65.469
Base-Backbone interact. energy: -0.797
local terms energy: -73.425636
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -131.871251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.871251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.871251 (E_RNA)
where:
Base-Base interactions energy: -74.662
where: short stacking energy: -37.447
Base-Backbone interact. energy: -0.064
local terms energy: -57.145736
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -157.433588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.433588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.433588 (E_RNA)
where:
Base-Base interactions energy: -90.337
where: short stacking energy: -42.365
Base-Backbone interact. energy: -0.302
local terms energy: -66.794453
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -95.708338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.708338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.708338 (E_RNA)
where:
Base-Base interactions energy: -37.343
where: short stacking energy: -37.343
Base-Backbone interact. energy: 0.756
local terms energy: -59.121132
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -99.009806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.009806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.009806 (E_RNA)
where:
Base-Base interactions energy: -49.694
where: short stacking energy: -26.477
Base-Backbone interact. energy: -1.129
local terms energy: -48.186323
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -1.627
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: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -92.300033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.300033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.300033 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -32.345
Base-Backbone interact. energy: -0.076
local terms energy: -59.878997
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -86.387120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.387120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.387120 (E_RNA)
where:
Base-Base interactions energy: -31.210
where: short stacking energy: -24.430
Base-Backbone interact. energy: -0.064
local terms energy: -55.112490
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -11.048
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: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -251.891113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.891113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.891113 (E_RNA)
where:
Base-Base interactions energy: -170.127
where: short stacking energy: -72.012
Base-Backbone interact. energy: 0.273
local terms energy: -82.036734
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -16.650
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: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -252.436614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.436614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.436614 (E_RNA)
where:
Base-Base interactions energy: -175.045
where: short stacking energy: -68.909
Base-Backbone interact. energy: -0.055
local terms energy: -77.337115
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -17.437
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: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -229.226317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.226317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.226317 (E_RNA)
where:
Base-Base interactions energy: -154.777
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.452
local terms energy: -73.997253
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -10.570
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: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -208.109260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.109260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.109260 (E_RNA)
where:
Base-Base interactions energy: -137.895
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.218
local terms energy: -69.996509
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -179.306102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.306102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.306102 (E_RNA)
where:
Base-Base interactions energy: -104.670
where: short stacking energy: -62.400
Base-Backbone interact. energy: -0.159
local terms energy: -74.477466
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -127.938585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.938585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.938585 (E_RNA)
where:
Base-Base interactions energy: -70.630
where: short stacking energy: -29.741
Base-Backbone interact. energy: -0.308
local terms energy: -57.000481
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -114.332986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.332986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.332986 (E_RNA)
where:
Base-Base interactions energy: -47.423
where: short stacking energy: -46.073
Base-Backbone interact. energy: -0.123
local terms energy: -66.787377
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -100.279103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.279103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.279103 (E_RNA)
where:
Base-Base interactions energy: -46.825
where: short stacking energy: -27.388
Base-Backbone interact. energy: -1.271
local terms energy: -52.183396
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -80.954036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.954036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.954036 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -33.091
Base-Backbone interact. energy: -0.256
local terms energy: -44.940769
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -4.281
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: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -77.920833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.920833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.920833 (E_RNA)
where:
Base-Base interactions energy: -25.078
where: short stacking energy: -21.868
Base-Backbone interact. energy: -0.320
local terms energy: -52.522947
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: 0.608
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: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -250.210941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.210941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.210941 (E_RNA)
where:
Base-Base interactions energy: -165.552
where: short stacking energy: -76.769
Base-Backbone interact. energy: 0.238
local terms energy: -84.897246
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -243.823087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.823087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.823087 (E_RNA)
where:
Base-Base interactions energy: -167.759
where: short stacking energy: -74.892
Base-Backbone interact. energy: -1.009
local terms energy: -75.055629
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -236.654485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.654485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.654485 (E_RNA)
where:
Base-Base interactions energy: -153.827
where: short stacking energy: -67.086
Base-Backbone interact. energy: -0.512
local terms energy: -82.315512
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -225.190789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.190789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.190789 (E_RNA)
where:
Base-Base interactions energy: -150.688
where: short stacking energy: -67.914
Base-Backbone interact. energy: 0.997
local terms energy: -75.499339
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -173.670910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.670910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.670910 (E_RNA)
where:
Base-Base interactions energy: -102.485
where: short stacking energy: -59.612
Base-Backbone interact. energy: -0.079
local terms energy: -71.106897
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -127.052007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.052007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.052007 (E_RNA)
where:
Base-Base interactions energy: -71.061
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.195
local terms energy: -55.795439
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -111.932191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.932191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.932191 (E_RNA)
where:
Base-Base interactions energy: -56.388
where: short stacking energy: -38.819
Base-Backbone interact. energy: -0.131
local terms energy: -55.413463
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -85.171810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.171810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.171810 (E_RNA)
where:
Base-Base interactions energy: -27.904
where: short stacking energy: -25.343
Base-Backbone interact. energy: -1.340
local terms energy: -55.927763
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -83.109972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.109972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.109972 (E_RNA)
where:
Base-Base interactions energy: -27.913
where: short stacking energy: -27.806
Base-Backbone interact. energy: -0.722
local terms energy: -54.474553
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: 0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -78.182751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182751 (E_RNA)
where:
Base-Base interactions energy: -19.094
where: short stacking energy: -18.922
Base-Backbone interact. energy: 0.792
local terms energy: -59.881000
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -249.985137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.985137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.985137 (E_RNA)
where:
Base-Base interactions energy: -168.461
where: short stacking energy: -63.056
Base-Backbone interact. energy: 1.782
local terms energy: -83.306532
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -238.700032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.700032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.700032 (E_RNA)
where:
Base-Base interactions energy: -167.917
where: short stacking energy: -64.831
Base-Backbone interact. energy: 1.756
local terms energy: -72.539106
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -236.763167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.763167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.763167 (E_RNA)
where:
Base-Base interactions energy: -166.707
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.332
local terms energy: -69.724083
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -13.329
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: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -218.916079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.916079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.916079 (E_RNA)
where:
Base-Base interactions energy: -135.773
where: short stacking energy: -59.069
Base-Backbone interact. energy: -0.197
local terms energy: -82.946473
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -16.043
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: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -139.422462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.422462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.422462 (E_RNA)
where:
Base-Base interactions energy: -78.430
where: short stacking energy: -32.200
Base-Backbone interact. energy: 1.312
local terms energy: -62.304107
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -161.743773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.743773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.743773 (E_RNA)
where:
Base-Base interactions energy: -92.938
where: short stacking energy: -53.873
Base-Backbone interact. energy: -0.623
local terms energy: -68.182850
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -100.434000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.434000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.434000 (E_RNA)
where:
Base-Base interactions energy: -39.446
where: short stacking energy: -32.942
Base-Backbone interact. energy: -1.284
local terms energy: -59.703944
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -6.286
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: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -93.313454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.313454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.313454 (E_RNA)
where:
Base-Base interactions energy: -33.531
where: short stacking energy: -32.353
Base-Backbone interact. energy: -0.095
local terms energy: -59.686639
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -86.071859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.071859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.071859 (E_RNA)
where:
Base-Base interactions energy: -32.228
where: short stacking energy: -26.014
Base-Backbone interact. energy: -2.379
local terms energy: -51.465077
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -1.628
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: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -99.818825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.818825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.818825 (E_RNA)
where:
Base-Base interactions energy: -47.051
where: short stacking energy: -36.729
Base-Backbone interact. energy: -0.007
local terms energy: -52.760469
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -244.307847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.307847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.307847 (E_RNA)
where:
Base-Base interactions energy: -162.907
where: short stacking energy: -71.020
Base-Backbone interact. energy: -0.186
local terms energy: -81.214383
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -20.686
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: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -243.956317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.956317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.956317 (E_RNA)
where:
Base-Base interactions energy: -160.675
where: short stacking energy: -69.241
Base-Backbone interact. energy: 0.261
local terms energy: -83.543173
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -228.401880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.401880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.401880 (E_RNA)
where:
Base-Base interactions energy: -159.018
where: short stacking energy: -64.691
Base-Backbone interact. energy: -0.784
local terms energy: -68.599927
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -14.545
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: 421
Temperature: 1.050000
Total energy: -199.853991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.853991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.853991 (E_RNA)
where:
Base-Base interactions energy: -129.290
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.365
local terms energy: -70.198705
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -145.239764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.239764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.239764 (E_RNA)
where:
Base-Base interactions energy: -81.609
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.076
local terms energy: -63.554413
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -160.317079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.317079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.317079 (E_RNA)
where:
Base-Base interactions energy: -92.321
where: short stacking energy: -46.235
Base-Backbone interact. energy: -0.151
local terms energy: -67.845103
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -11.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -95.443421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.443421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.443421 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -39.296
Base-Backbone interact. energy: 0.010
local terms energy: -56.156897
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -92.416452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.416452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.416452 (E_RNA)
where:
Base-Base interactions energy: -39.173
where: short stacking energy: -26.536
Base-Backbone interact. energy: -0.350
local terms energy: -52.893555
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -4.577
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: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -94.751001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.751001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.751001 (E_RNA)
where:
Base-Base interactions energy: -42.404
where: short stacking energy: -30.207
Base-Backbone interact. energy: -0.083
local terms energy: -52.264106
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -100.805720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.805720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.805720 (E_RNA)
where:
Base-Base interactions energy: -41.451
where: short stacking energy: -33.866
Base-Backbone interact. energy: -0.004
local terms energy: -59.351523
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -248.295535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.295535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.295535 (E_RNA)
where:
Base-Base interactions energy: -173.130
where: short stacking energy: -68.319
Base-Backbone interact. energy: 1.508
local terms energy: -76.674067
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -240.618120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.618120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.618120 (E_RNA)
where:
Base-Base interactions energy: -154.128
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.512
local terms energy: -85.978393
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -20.363
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: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -216.371553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.371553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.371553 (E_RNA)
where:
Base-Base interactions energy: -156.758
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.145
local terms energy: -59.468429
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -11.163
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: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -202.439346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.439346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.439346 (E_RNA)
where:
Base-Base interactions energy: -128.197
where: short stacking energy: -56.906
Base-Backbone interact. energy: -0.414
local terms energy: -73.828088
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -190.970332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.970332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.970332 (E_RNA)
where:
Base-Base interactions energy: -123.935
where: short stacking energy: -71.361
Base-Backbone interact. energy: -0.002
local terms energy: -67.032975
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -3.347
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -109.518976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.518976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.518976 (E_RNA)
where:
Base-Base interactions energy: -41.535
where: short stacking energy: -41.535
Base-Backbone interact. energy: 0.782
local terms energy: -68.765486
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -107.232642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.232642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.232642 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -41.159
Base-Backbone interact. energy: -0.003
local terms energy: -62.577714
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -99.337500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.337500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.337500 (E_RNA)
where:
Base-Base interactions energy: -39.629
where: short stacking energy: -39.629
Base-Backbone interact. energy: -0.148
local terms energy: -59.561164
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -9.613
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: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -84.841193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841193 (E_RNA)
where:
Base-Base interactions energy: -38.753
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.924
local terms energy: -45.164861
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: 1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -83.051573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.051573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.051573 (E_RNA)
where:
Base-Base interactions energy: -40.385
where: short stacking energy: -28.823
Base-Backbone interact. energy: 0.558
local terms energy: -43.224743
where:
bonds (distance) C4'-P energy: -4.000
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: 2.843
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: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -243.096737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.096737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.096737 (E_RNA)
where:
Base-Base interactions energy: -158.479
where: short stacking energy: -72.170
Base-Backbone interact. energy: -0.951
local terms energy: -83.667285
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -236.390662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.390662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.390662 (E_RNA)
where:
Base-Base interactions energy: -162.241
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.169
local terms energy: -73.981111
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -16.881
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: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -238.688495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.688495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.688495 (E_RNA)
where:
Base-Base interactions energy: -170.071
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.033
local terms energy: -68.584830
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -203.274254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.274254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.274254 (E_RNA)
where:
Base-Base interactions energy: -137.884
where: short stacking energy: -63.984
Base-Backbone interact. energy: -0.174
local terms energy: -65.216233
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -188.272624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.272624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.272624 (E_RNA)
where:
Base-Base interactions energy: -112.323
where: short stacking energy: -51.321
Base-Backbone interact. energy: -0.169
local terms energy: -75.780621
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -136.534228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.534228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.534228 (E_RNA)
where:
Base-Base interactions energy: -72.623
where: short stacking energy: -44.233
Base-Backbone interact. energy: -0.020
local terms energy: -63.891382
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -102.019521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.019521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.019521 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -38.540
Base-Backbone interact. energy: -0.087
local terms energy: -59.733626
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -97.729757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.729757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.729757 (E_RNA)
where:
Base-Base interactions energy: -37.517
where: short stacking energy: -31.182
Base-Backbone interact. energy: -0.484
local terms energy: -59.728560
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -1.175
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: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -76.136251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.136251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.136251 (E_RNA)
where:
Base-Base interactions energy: -26.824
where: short stacking energy: -20.393
Base-Backbone interact. energy: -0.214
local terms energy: -49.099058
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: 5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -106.720622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.720622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.720622 (E_RNA)
where:
Base-Base interactions energy: -55.152
where: short stacking energy: -24.924
Base-Backbone interact. energy: 0.096
local terms energy: -51.664837
where:
bonds (distance) C4'-P energy: -6.775
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -240.703254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.703254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.703254 (E_RNA)
where:
Base-Base interactions energy: -158.486
where: short stacking energy: -67.271
Base-Backbone interact. energy: -0.254
local terms energy: -81.963169
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -247.896943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.896943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.896943 (E_RNA)
where:
Base-Base interactions energy: -164.292
where: short stacking energy: -70.924
Base-Backbone interact. energy: -0.463
local terms energy: -83.142720
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -21.046
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: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -241.456150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.456150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.456150 (E_RNA)
where:
Base-Base interactions energy: -178.503
where: short stacking energy: -59.500
Base-Backbone interact. energy: 0.012
local terms energy: -62.964445
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.309
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: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -217.233083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.233083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.233083 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -64.845
Base-Backbone interact. energy: -0.134
local terms energy: -73.508604
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -11.948
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: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -137.275747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.275747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.275747 (E_RNA)
where:
Base-Base interactions energy: -69.108
where: short stacking energy: -40.478
Base-Backbone interact. energy: -1.243
local terms energy: -66.924944
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -202.403029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.403029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.403029 (E_RNA)
where:
Base-Base interactions energy: -124.413
where: short stacking energy: -75.507
Base-Backbone interact. energy: 1.391
local terms energy: -79.381220
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -12.208
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: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -94.671120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.671120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.671120 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -31.852
Base-Backbone interact. energy: -0.045
local terms energy: -62.774460
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -91.881404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.881404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.881404 (E_RNA)
where:
Base-Base interactions energy: -34.618
where: short stacking energy: -26.645
Base-Backbone interact. energy: -0.222
local terms energy: -57.041111
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -11.406
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: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -94.466977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.466977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.466977 (E_RNA)
where:
Base-Base interactions energy: -39.801
where: short stacking energy: -39.923
Base-Backbone interact. energy: -0.264
local terms energy: -54.402133
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -88.438617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.438617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.438617 (E_RNA)
where:
Base-Base interactions energy: -39.252
where: short stacking energy: -25.658
Base-Backbone interact. energy: -0.266
local terms energy: -48.921192
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -8.269
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -254.096399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.096399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.096399 (E_RNA)
where:
Base-Base interactions energy: -169.316
where: short stacking energy: -72.845
Base-Backbone interact. energy: 1.258
local terms energy: -86.038962
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -257.247088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.247088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.247088 (E_RNA)
where:
Base-Base interactions energy: -182.250
where: short stacking energy: -61.114
Base-Backbone interact. energy: -0.570
local terms energy: -74.427150
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -227.864721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.864721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.864721 (E_RNA)
where:
Base-Base interactions energy: -152.426
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.086
local terms energy: -75.353460
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -214.953193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.953193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.953193 (E_RNA)
where:
Base-Base interactions energy: -143.540
where: short stacking energy: -59.894
Base-Backbone interact. energy: -0.223
local terms energy: -71.190299
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -99.818336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.818336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.818336 (E_RNA)
where:
Base-Base interactions energy: -41.336
where: short stacking energy: -31.981
Base-Backbone interact. energy: -0.202
local terms energy: -58.280418
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -8.203
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: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -178.825901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.825901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.825901 (E_RNA)
where:
Base-Base interactions energy: -105.098
where: short stacking energy: -65.316
Base-Backbone interact. energy: -0.925
local terms energy: -72.803321
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -18.466
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: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -111.115055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.115055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.115055 (E_RNA)
where:
Base-Base interactions energy: -50.209
where: short stacking energy: -45.715
Base-Backbone interact. energy: 0.317
local terms energy: -61.222707
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -115.440935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.440935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.440935 (E_RNA)
where:
Base-Base interactions energy: -62.085
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.745
local terms energy: -52.610485
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -108.074655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.074655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.074655 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -41.151
Base-Backbone interact. energy: -0.142
local terms energy: -59.855970
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -87.982702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.982702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.982702 (E_RNA)
where:
Base-Base interactions energy: -32.024
where: short stacking energy: -29.074
Base-Backbone interact. energy: -0.133
local terms energy: -55.825261
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -248.179370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.179370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.179370 (E_RNA)
where:
Base-Base interactions energy: -172.187
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.676
local terms energy: -75.316366
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -249.570402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.570402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.570402 (E_RNA)
where:
Base-Base interactions energy: -177.501
where: short stacking energy: -67.168
Base-Backbone interact. energy: -0.128
local terms energy: -71.940936
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -15.645
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: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -237.048667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.048667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.048667 (E_RNA)
where:
Base-Base interactions energy: -155.143
where: short stacking energy: -64.336
Base-Backbone interact. energy: -1.346
local terms energy: -80.558772
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -223.714381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.714381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.714381 (E_RNA)
where:
Base-Base interactions energy: -146.854
where: short stacking energy: -64.360
Base-Backbone interact. energy: -1.705
local terms energy: -75.155900
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -187.206722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.206722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.206722 (E_RNA)
where:
Base-Base interactions energy: -115.388
where: short stacking energy: -55.298
Base-Backbone interact. energy: -0.047
local terms energy: -71.771608
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -111.872027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.872027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.872027 (E_RNA)
where:
Base-Base interactions energy: -50.313
where: short stacking energy: -47.818
Base-Backbone interact. energy: -0.009
local terms energy: -61.549286
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: -10.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -141.597815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.597815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.597815 (E_RNA)
where:
Base-Base interactions energy: -72.271
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.135
local terms energy: -69.191978
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -90.595241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.595241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.595241 (E_RNA)
where:
Base-Base interactions energy: -36.759
where: short stacking energy: -35.257
Base-Backbone interact. energy: -0.803
local terms energy: -53.033424
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -93.521050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.521050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.521050 (E_RNA)
where:
Base-Base interactions energy: -31.551
where: short stacking energy: -31.828
Base-Backbone interact. energy: 0.410
local terms energy: -62.379433
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -88.389507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.389507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.389507 (E_RNA)
where:
Base-Base interactions energy: -35.569
where: short stacking energy: -33.346
Base-Backbone interact. energy: -0.049
local terms energy: -52.772266
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -255.006032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.006032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.006032 (E_RNA)
where:
Base-Base interactions energy: -174.531
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.200
local terms energy: -80.275146
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -252.556011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.556011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.556011 (E_RNA)
where:
Base-Base interactions energy: -174.021
where: short stacking energy: -64.846
Base-Backbone interact. energy: -0.246
local terms energy: -78.289325
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -240.859400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.859400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.859400 (E_RNA)
where:
Base-Base interactions energy: -166.470
where: short stacking energy: -62.546
Base-Backbone interact. energy: 1.372
local terms energy: -75.762023
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -217.913812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.913812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.913812 (E_RNA)
where:
Base-Base interactions energy: -150.477
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.397
local terms energy: -67.039892
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -182.664054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.664054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.664054 (E_RNA)
where:
Base-Base interactions energy: -118.513
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.801
local terms energy: -63.349876
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -1.625
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -149.416049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.416049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.416049 (E_RNA)
where:
Base-Base interactions energy: -82.569
where: short stacking energy: -40.248
Base-Backbone interact. energy: -0.575
local terms energy: -66.272104
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -9.329
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: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -95.616787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.616787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.616787 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -33.000
Base-Backbone interact. energy: -0.343
local terms energy: -54.126362
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -0.869
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: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -97.805243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.805243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.805243 (E_RNA)
where:
Base-Base interactions energy: -39.176
where: short stacking energy: -39.193
Base-Backbone interact. energy: -0.475
local terms energy: -58.153769
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.906
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: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -88.200034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.200034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.200034 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -31.643
Base-Backbone interact. energy: -0.100
local terms energy: -55.408783
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -79.520611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.520611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.520611 (E_RNA)
where:
Base-Base interactions energy: -22.452
where: short stacking energy: -22.452
Base-Backbone interact. energy: -0.099
local terms energy: -56.970063
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: 1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -240.173878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.173878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.173878 (E_RNA)
where:
Base-Base interactions energy: -162.998
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.320
local terms energy: -76.856094
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -240.996725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.996725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.996725 (E_RNA)
where:
Base-Base interactions energy: -166.682
where: short stacking energy: -66.106
Base-Backbone interact. energy: 0.446
local terms energy: -74.759830
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -239.583544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.583544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.583544 (E_RNA)
where:
Base-Base interactions energy: -172.393
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.208
local terms energy: -66.983177
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -14.395
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: 428
Temperature: 1.050000
Total energy: -209.951244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.951244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.951244 (E_RNA)
where:
Base-Base interactions energy: -139.435
where: short stacking energy: -62.461
Base-Backbone interact. energy: -0.612
local terms energy: -69.904035
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -16.536
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: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -201.188831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.188831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.188831 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.337
local terms energy: -72.839953
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -152.024115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.024115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.024115 (E_RNA)
where:
Base-Base interactions energy: -90.072
where: short stacking energy: -53.194
Base-Backbone interact. energy: -0.380
local terms energy: -61.571745
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -9.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -84.905562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.905562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.905562 (E_RNA)
where:
Base-Base interactions energy: -29.006
where: short stacking energy: -23.856
Base-Backbone interact. energy: -0.255
local terms energy: -55.644515
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.427
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: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -105.827834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.827834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.827834 (E_RNA)
where:
Base-Base interactions energy: -45.910
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.135
local terms energy: -59.782675
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -12.868
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: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -100.236269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.236269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.236269 (E_RNA)
where:
Base-Base interactions energy: -49.657
where: short stacking energy: -40.303
Base-Backbone interact. energy: 0.667
local terms energy: -51.245960
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -79.434692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.434692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.434692 (E_RNA)
where:
Base-Base interactions energy: -29.726
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.641
local terms energy: -49.068333
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -238.999663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.999663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.999663 (E_RNA)
where:
Base-Base interactions energy: -159.379
where: short stacking energy: -74.775
Base-Backbone interact. energy: 1.410
local terms energy: -81.030069
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -244.626626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.626626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.626626 (E_RNA)
where:
Base-Base interactions energy: -170.424
where: short stacking energy: -58.987
Base-Backbone interact. energy: -0.862
local terms energy: -73.341131
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -231.846043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.846043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.846043 (E_RNA)
where:
Base-Base interactions energy: -160.572
where: short stacking energy: -62.435
Base-Backbone interact. energy: -0.956
local terms energy: -70.317791
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -217.342540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.342540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.342540 (E_RNA)
where:
Base-Base interactions energy: -134.308
where: short stacking energy: -75.543
Base-Backbone interact. energy: -1.182
local terms energy: -81.852147
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -23.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -205.061012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.061012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.061012 (E_RNA)
where:
Base-Base interactions energy: -132.688
where: short stacking energy: -53.409
Base-Backbone interact. energy: -0.301
local terms energy: -72.072445
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -160.030875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.030875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.030875 (E_RNA)
where:
Base-Base interactions energy: -87.832
where: short stacking energy: -55.368
Base-Backbone interact. energy: -0.576
local terms energy: -71.623183
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.588
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: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -103.647387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.647387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.647387 (E_RNA)
where:
Base-Base interactions energy: -43.608
where: short stacking energy: -42.587
Base-Backbone interact. energy: 0.053
local terms energy: -60.092626
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -9.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -93.868038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.868038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.868038 (E_RNA)
where:
Base-Base interactions energy: -32.047
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.084
local terms energy: -61.737766
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -12.691
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: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -82.544983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.544983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.544983 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -34.499
Base-Backbone interact. energy: -0.040
local terms energy: -47.441359
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -7.862
flat angles C4'-P-C4' energy: -7.780
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -5.532
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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -112.495105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.495105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.495105 (E_RNA)
where:
Base-Base interactions energy: -52.224
where: short stacking energy: -39.623
Base-Backbone interact. energy: -0.006
local terms energy: -60.264710
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -9.306
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -237.107133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.107133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.107133 (E_RNA)
where:
Base-Base interactions energy: -155.268
where: short stacking energy: -68.844
Base-Backbone interact. energy: -0.337
local terms energy: -81.501737
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -241.679836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.679836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.679836 (E_RNA)
where:
Base-Base interactions energy: -166.048
where: short stacking energy: -70.968
Base-Backbone interact. energy: 0.587
local terms energy: -76.218062
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -15.218
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: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -206.332163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.332163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.332163 (E_RNA)
where:
Base-Base interactions energy: -131.229
where: short stacking energy: -75.353
Base-Backbone interact. energy: -0.159
local terms energy: -74.944839
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -233.241265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.241265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.241265 (E_RNA)
where:
Base-Base interactions energy: -162.393
where: short stacking energy: -77.610
Base-Backbone interact. energy: -0.073
local terms energy: -70.775076
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -17.417
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: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -200.847528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.847528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.847528 (E_RNA)
where:
Base-Base interactions energy: -140.423
where: short stacking energy: -66.879
Base-Backbone interact. energy: -0.169
local terms energy: -60.255341
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -152.409597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.409597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.409597 (E_RNA)
where:
Base-Base interactions energy: -87.940
where: short stacking energy: -38.452
Base-Backbone interact. energy: -0.185
local terms energy: -64.284541
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -105.842673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.842673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.842673 (E_RNA)
where:
Base-Base interactions energy: -49.839
where: short stacking energy: -37.515
Base-Backbone interact. energy: -0.104
local terms energy: -55.899440
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -6.276
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -105.028961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.028961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.028961 (E_RNA)
where:
Base-Base interactions energy: -47.680
where: short stacking energy: -47.680
Base-Backbone interact. energy: -0.149
local terms energy: -57.200386
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -5.879
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: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -85.735967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.735967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.735967 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -25.108
Base-Backbone interact. energy: 1.324
local terms energy: -58.814227
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -5.008
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: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -80.318616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.318616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.318616 (E_RNA)
where:
Base-Base interactions energy: -27.885
where: short stacking energy: -25.102
Base-Backbone interact. energy: -0.161
local terms energy: -52.273042
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -240.526312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.526312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.526312 (E_RNA)
where:
Base-Base interactions energy: -160.481
where: short stacking energy: -77.707
Base-Backbone interact. energy: -0.265
local terms energy: -79.780503
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -222.772043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.772043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.772043 (E_RNA)
where:
Base-Base interactions energy: -137.010
where: short stacking energy: -74.911
Base-Backbone interact. energy: -0.161
local terms energy: -85.600790
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -22.366
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: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -241.710238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.710238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.710238 (E_RNA)
where:
Base-Base interactions energy: -161.436
where: short stacking energy: -63.003
Base-Backbone interact. energy: 1.450
local terms energy: -81.724509
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -188.203621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.203621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.203621 (E_RNA)
where:
Base-Base interactions energy: -112.426
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.006
local terms energy: -75.772405
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -16.053
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: 431
Temperature: 1.100000
Total energy: -214.192479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.192479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.192479 (E_RNA)
where:
Base-Base interactions energy: -143.821
where: short stacking energy: -65.304
Base-Backbone interact. energy: 0.504
local terms energy: -70.875928
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -151.028353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.028353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.028353 (E_RNA)
where:
Base-Base interactions energy: -88.249
where: short stacking energy: -52.649
Base-Backbone interact. energy: -0.192
local terms energy: -62.587121
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -102.264646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.264646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.264646 (E_RNA)
where:
Base-Base interactions energy: -45.168
where: short stacking energy: -41.517
Base-Backbone interact. energy: -0.003
local terms energy: -57.093465
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -96.816676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.816676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.816676 (E_RNA)
where:
Base-Base interactions energy: -37.643
where: short stacking energy: -25.397
Base-Backbone interact. energy: -0.272
local terms energy: -58.901736
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -90.200687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.200687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.200687 (E_RNA)
where:
Base-Base interactions energy: -35.696
where: short stacking energy: -35.696
Base-Backbone interact. energy: -0.196
local terms energy: -54.308511
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -78.535910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.535910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.535910 (E_RNA)
where:
Base-Base interactions energy: -27.558
where: short stacking energy: -24.904
Base-Backbone interact. energy: -0.767
local terms energy: -50.211271
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -249.030590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.030590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.030590 (E_RNA)
where:
Base-Base interactions energy: -165.258
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.645
local terms energy: -83.127628
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -17.311
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -212.857122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.857122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.857122 (E_RNA)
where:
Base-Base interactions energy: -134.638
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.932
local terms energy: -77.287168
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -239.670584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.670584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.670584 (E_RNA)
where:
Base-Base interactions energy: -159.785
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.299
local terms energy: -79.586093
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -12.986
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: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -191.397130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.397130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.397130 (E_RNA)
where:
Base-Base interactions energy: -113.971
where: short stacking energy: -61.772
Base-Backbone interact. energy: -0.078
local terms energy: -77.347779
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -219.973052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.973052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.973052 (E_RNA)
where:
Base-Base interactions energy: -145.430
where: short stacking energy: -58.038
Base-Backbone interact. energy: -0.392
local terms energy: -74.150721
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -143.225009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.225009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.225009 (E_RNA)
where:
Base-Base interactions energy: -71.362
where: short stacking energy: -46.699
Base-Backbone interact. energy: -0.133
local terms energy: -71.730621
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -89.191987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.191987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.191987 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -26.202
Base-Backbone interact. energy: -1.173
local terms energy: -47.398813
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -9.139
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: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -98.589564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.589564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.589564 (E_RNA)
where:
Base-Base interactions energy: -41.650
where: short stacking energy: -30.300
Base-Backbone interact. energy: 0.220
local terms energy: -57.159626
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -4.399
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: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -98.069385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.069385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.069385 (E_RNA)
where:
Base-Base interactions energy: -40.468
where: short stacking energy: -40.468
Base-Backbone interact. energy: -0.146
local terms energy: -57.454909
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -11.118
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: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -83.647274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.647274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.647274 (E_RNA)
where:
Base-Base interactions energy: -25.359
where: short stacking energy: -21.051
Base-Backbone interact. energy: -0.167
local terms energy: -58.121374
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -239.961203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.961203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.961203 (E_RNA)
where:
Base-Base interactions energy: -161.799
where: short stacking energy: -75.425
Base-Backbone interact. energy: -1.094
local terms energy: -77.068393
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -235.482077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.482077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.482077 (E_RNA)
where:
Base-Base interactions energy: -152.823
where: short stacking energy: -64.733
Base-Backbone interact. energy: -0.328
local terms energy: -82.331626
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -211.548824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.548824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.548824 (E_RNA)
where:
Base-Base interactions energy: -128.187
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.002
local terms energy: -83.359519
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -218.849800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.849800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.849800 (E_RNA)
where:
Base-Base interactions energy: -145.314
where: short stacking energy: -67.037
Base-Backbone interact. energy: 1.536
local terms energy: -75.071439
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -185.552466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.552466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.552466 (E_RNA)
where:
Base-Base interactions energy: -108.362
where: short stacking energy: -64.087
Base-Backbone interact. energy: -0.058
local terms energy: -77.132054
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.108
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: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -94.074116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.074116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.074116 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -29.915
Base-Backbone interact. energy: 0.245
local terms energy: -63.032432
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -103.326409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.326409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.326409 (E_RNA)
where:
Base-Base interactions energy: -51.707
where: short stacking energy: -27.231
Base-Backbone interact. energy: 1.102
local terms energy: -52.721359
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -98.828597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.828597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.828597 (E_RNA)
where:
Base-Base interactions energy: -46.676
where: short stacking energy: -30.010
Base-Backbone interact. energy: 1.577
local terms energy: -53.728944
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -87.016799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.016799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.016799 (E_RNA)
where:
Base-Base interactions energy: -24.715
where: short stacking energy: -23.627
Base-Backbone interact. energy: -0.156
local terms energy: -62.145893
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -83.155642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.155642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.155642 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -19.322
Base-Backbone interact. energy: -0.255
local terms energy: -53.818003
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -1.762
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: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -247.517041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.517041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.517041 (E_RNA)
where:
Base-Base interactions energy: -165.868
where: short stacking energy: -75.918
Base-Backbone interact. energy: -1.949
local terms energy: -79.699230
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -10.791
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: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -232.281226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.281226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.281226 (E_RNA)
where:
Base-Base interactions energy: -156.441
where: short stacking energy: -67.184
Base-Backbone interact. energy: -0.422
local terms energy: -75.417800
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -11.412
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: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -235.013786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.013786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.013786 (E_RNA)
where:
Base-Base interactions energy: -153.445
where: short stacking energy: -75.331
Base-Backbone interact. energy: -0.312
local terms energy: -81.257489
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -213.659975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.659975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.659975 (E_RNA)
where:
Base-Base interactions energy: -138.072
where: short stacking energy: -75.502
Base-Backbone interact. energy: -0.002
local terms energy: -75.586786
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -174.816380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.816380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.816380 (E_RNA)
where:
Base-Base interactions energy: -106.484
where: short stacking energy: -59.296
Base-Backbone interact. energy: -0.848
local terms energy: -67.484694
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -97.280568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.280568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.280568 (E_RNA)
where:
Base-Base interactions energy: -41.822
where: short stacking energy: -26.219
Base-Backbone interact. energy: 0.028
local terms energy: -55.486776
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -5.201
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: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -92.376184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.376184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.376184 (E_RNA)
where:
Base-Base interactions energy: -46.535
where: short stacking energy: -46.535
Base-Backbone interact. energy: -0.217
local terms energy: -45.624415
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -95.477217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.477217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.477217 (E_RNA)
where:
Base-Base interactions energy: -35.996
where: short stacking energy: -32.518
Base-Backbone interact. energy: -0.115
local terms energy: -59.365662
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -90.490950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.490950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.490950 (E_RNA)
where:
Base-Base interactions energy: -34.003
where: short stacking energy: -23.970
Base-Backbone interact. energy: -0.462
local terms energy: -56.025785
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -4.914
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: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -87.415960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.415960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.415960 (E_RNA)
where:
Base-Base interactions energy: -42.886
where: short stacking energy: -33.857
Base-Backbone interact. energy: 2.429
local terms energy: -46.959330
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -5.159
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: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -239.662708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.662708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.662708 (E_RNA)
where:
Base-Base interactions energy: -149.298
where: short stacking energy: -64.378
Base-Backbone interact. energy: -1.640
local terms energy: -88.724921
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -243.458569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.458569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.458569 (E_RNA)
where:
Base-Base interactions energy: -164.401
where: short stacking energy: -74.289
Base-Backbone interact. energy: -0.341
local terms energy: -78.717120
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -20.371
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: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -236.257635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.257635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.257635 (E_RNA)
where:
Base-Base interactions energy: -156.042
where: short stacking energy: -76.703
Base-Backbone interact. energy: -0.793
local terms energy: -79.421801
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -212.924437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.924437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.924437 (E_RNA)
where:
Base-Base interactions energy: -138.115
where: short stacking energy: -78.167
Base-Backbone interact. energy: -0.092
local terms energy: -74.717700
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -171.724130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.724130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.724130 (E_RNA)
where:
Base-Base interactions energy: -116.688
where: short stacking energy: -45.720
Base-Backbone interact. energy: -0.268
local terms energy: -54.767822
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -94.511223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.511223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.511223 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.220
local terms energy: -63.662421
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.246
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: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -109.679478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.679478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.679478 (E_RNA)
where:
Base-Base interactions energy: -56.877
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.055
local terms energy: -52.747481
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: 1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -93.022796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.022796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.022796 (E_RNA)
where:
Base-Base interactions energy: -36.421
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.040
local terms energy: -56.562100
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -90.658199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.658199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.658199 (E_RNA)
where:
Base-Base interactions energy: -30.016
where: short stacking energy: -15.901
Base-Backbone interact. energy: -0.492
local terms energy: -60.149742
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -91.322327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.322327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.322327 (E_RNA)
where:
Base-Base interactions energy: -36.577
where: short stacking energy: -36.577
Base-Backbone interact. energy: -0.005
local terms energy: -54.740211
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -250.723954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.723954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.723954 (E_RNA)
where:
Base-Base interactions energy: -161.976
where: short stacking energy: -77.094
Base-Backbone interact. energy: -0.328
local terms energy: -88.420179
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -241.165206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.165206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.165206 (E_RNA)
where:
Base-Base interactions energy: -164.048
where: short stacking energy: -72.744
Base-Backbone interact. energy: -0.125
local terms energy: -76.992880
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -234.322230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.322230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.322230 (E_RNA)
where:
Base-Base interactions energy: -151.131
where: short stacking energy: -66.199
Base-Backbone interact. energy: -1.611
local terms energy: -81.580508
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -11.180
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: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -214.769992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.769992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.769992 (E_RNA)
where:
Base-Base interactions energy: -130.083
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.127
local terms energy: -84.559143
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -184.078114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.078114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.078114 (E_RNA)
where:
Base-Base interactions energy: -111.649
where: short stacking energy: -65.049
Base-Backbone interact. energy: -0.082
local terms energy: -72.347151
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -126.745225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.745225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.745225 (E_RNA)
where:
Base-Base interactions energy: -60.348
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.003
local terms energy: -66.394035
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -97.577559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.577559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.577559 (E_RNA)
where:
Base-Base interactions energy: -55.306
where: short stacking energy: -32.740
Base-Backbone interact. energy: -1.084
local terms energy: -41.188239
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -105.312063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.312063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.312063 (E_RNA)
where:
Base-Base interactions energy: -40.506
where: short stacking energy: -37.755
Base-Backbone interact. energy: -0.399
local terms energy: -64.406976
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -100.107219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.107219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.107219 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -20.183
Base-Backbone interact. energy: 0.110
local terms energy: -61.655355
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -81.179977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.179977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.179977 (E_RNA)
where:
Base-Base interactions energy: -22.922
where: short stacking energy: -21.734
Base-Backbone interact. energy: -0.055
local terms energy: -58.202400
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -247.969262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.969262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.969262 (E_RNA)
where:
Base-Base interactions energy: -161.892
where: short stacking energy: -76.340
Base-Backbone interact. energy: -0.274
local terms energy: -85.803222
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -21.116
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: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -237.376907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.376907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.376907 (E_RNA)
where:
Base-Base interactions energy: -163.015
where: short stacking energy: -70.427
Base-Backbone interact. energy: -0.410
local terms energy: -73.951605
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -232.919385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.919385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.919385 (E_RNA)
where:
Base-Base interactions energy: -161.216
where: short stacking energy: -69.294
Base-Backbone interact. energy: 0.184
local terms energy: -71.887154
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -5.918
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: 4, replica: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -207.149915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.149915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.149915 (E_RNA)
where:
Base-Base interactions energy: -132.170
where: short stacking energy: -78.605
Base-Backbone interact. energy: -0.717
local terms energy: -74.262718
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -168.303226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.303226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.303226 (E_RNA)
where:
Base-Base interactions energy: -112.559
where: short stacking energy: -57.911
Base-Backbone interact. energy: -0.407
local terms energy: -55.336695
where:
bonds (distance) C4'-P energy: -7.808
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -11.984
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: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -119.863014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.863014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.863014 (E_RNA)
where:
Base-Base interactions energy: -71.594
where: short stacking energy: -31.195
Base-Backbone interact. energy: 0.778
local terms energy: -49.047503
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -96.244891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.244891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.244891 (E_RNA)
where:
Base-Base interactions energy: -38.465
where: short stacking energy: -37.399
Base-Backbone interact. energy: -0.039
local terms energy: -57.740374
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -6.162
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: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -88.266888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.266888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.266888 (E_RNA)
where:
Base-Base interactions energy: -40.636
where: short stacking energy: -41.066
Base-Backbone interact. energy: -0.127
local terms energy: -47.503271
where:
bonds (distance) C4'-P energy: -6.583
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -7.156
flat angles P-C4'-P energy: -8.772
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: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -86.172419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.172419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.172419 (E_RNA)
where:
Base-Base interactions energy: -37.700
where: short stacking energy: -35.246
Base-Backbone interact. energy: -1.653
local terms energy: -46.818464
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -8.167
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: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -76.674715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.674715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.674715 (E_RNA)
where:
Base-Base interactions energy: -27.505
where: short stacking energy: -25.112
Base-Backbone interact. energy: -0.048
local terms energy: -49.121630
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: 3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -246.729615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.729615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.729615 (E_RNA)
where:
Base-Base interactions energy: -164.695
where: short stacking energy: -77.211
Base-Backbone interact. energy: -1.324
local terms energy: -80.709766
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -245.121747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.121747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.121747 (E_RNA)
where:
Base-Base interactions energy: -160.681
where: short stacking energy: -77.341
Base-Backbone interact. energy: -0.565
local terms energy: -83.875890
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -236.237718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.237718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.237718 (E_RNA)
where:
Base-Base interactions energy: -159.761
where: short stacking energy: -67.495
Base-Backbone interact. energy: -0.189
local terms energy: -76.288030
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -202.079923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.079923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.079923 (E_RNA)
where:
Base-Base interactions energy: -126.007
where: short stacking energy: -69.337
Base-Backbone interact. energy: 1.482
local terms energy: -77.554851
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -161.280462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.280462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.280462 (E_RNA)
where:
Base-Base interactions energy: -102.126
where: short stacking energy: -45.512
Base-Backbone interact. energy: -0.927
local terms energy: -58.227324
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -102.951456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.951456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.951456 (E_RNA)
where:
Base-Base interactions energy: -46.802
where: short stacking energy: -35.280
Base-Backbone interact. energy: 0.230
local terms energy: -56.379219
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -109.680172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.680172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.680172 (E_RNA)
where:
Base-Base interactions energy: -46.707
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.926
local terms energy: -62.046633
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -86.643707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.643707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.643707 (E_RNA)
where:
Base-Base interactions energy: -27.129
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.261
local terms energy: -59.253712
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -5.920
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: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -93.307047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.307047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.307047 (E_RNA)
where:
Base-Base interactions energy: -35.869
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.183
local terms energy: -57.255206
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -82.686327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686327 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -38.991
Base-Backbone interact. energy: -0.140
local terms energy: -43.555545
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -1.226
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -243.010260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.010260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.010260 (E_RNA)
where:
Base-Base interactions energy: -162.152
where: short stacking energy: -65.766
Base-Backbone interact. energy: -0.446
local terms energy: -80.412784
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -240.090619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.090619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.090619 (E_RNA)
where:
Base-Base interactions energy: -159.887
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.366
local terms energy: -79.837347
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -240.825004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.825004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.825004 (E_RNA)
where:
Base-Base interactions energy: -162.960
where: short stacking energy: -75.482
Base-Backbone interact. energy: 0.028
local terms energy: -77.893343
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -172.702470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.702470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.702470 (E_RNA)
where:
Base-Base interactions energy: -102.013
where: short stacking energy: -54.226
Base-Backbone interact. energy: -0.182
local terms energy: -70.507439
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -9.018
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: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -207.167688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.167688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.167688 (E_RNA)
where:
Base-Base interactions energy: -131.073
where: short stacking energy: -78.162
Base-Backbone interact. energy: -0.213
local terms energy: -75.881783
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -7.575
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: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -121.696228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.696228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.696228 (E_RNA)
where:
Base-Base interactions energy: -65.183
where: short stacking energy: -45.220
Base-Backbone interact. energy: -0.568
local terms energy: -55.945494
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -10.572
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: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -107.241539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.241539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.241539 (E_RNA)
where:
Base-Base interactions energy: -50.195
where: short stacking energy: -41.355
Base-Backbone interact. energy: 0.621
local terms energy: -57.666681
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -95.469054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.469054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.469054 (E_RNA)
where:
Base-Base interactions energy: -40.427
where: short stacking energy: -34.952
Base-Backbone interact. energy: -0.398
local terms energy: -54.643366
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -10.497
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: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -89.831233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.831233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.831233 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -34.886
Base-Backbone interact. energy: -0.122
local terms energy: -54.386237
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -1.151
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: 439
Temperature: 1.350000
Total energy: -84.835587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.835587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.835587 (E_RNA)
where:
Base-Base interactions energy: -26.272
where: short stacking energy: -26.272
Base-Backbone interact. energy: -0.134
local terms energy: -58.430324
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -246.232751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.232751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.232751 (E_RNA)
where:
Base-Base interactions energy: -171.120
where: short stacking energy: -72.514
Base-Backbone interact. energy: -0.756
local terms energy: -74.356929
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.150
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: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -245.428089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.428089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.428089 (E_RNA)
where:
Base-Base interactions energy: -167.417
where: short stacking energy: -72.677
Base-Backbone interact. energy: -0.573
local terms energy: -77.437564
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -241.208563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.208563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.208563 (E_RNA)
where:
Base-Base interactions energy: -159.956
where: short stacking energy: -71.781
Base-Backbone interact. energy: 0.013
local terms energy: -81.265710
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -183.086601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.086601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.086601 (E_RNA)
where:
Base-Base interactions energy: -110.715
where: short stacking energy: -54.205
Base-Backbone interact. energy: -1.021
local terms energy: -71.350435
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -183.699631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.699631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.699631 (E_RNA)
where:
Base-Base interactions energy: -111.058
where: short stacking energy: -54.886
Base-Backbone interact. energy: -0.250
local terms energy: -72.392210
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -109.213007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.213007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.213007 (E_RNA)
where:
Base-Base interactions energy: -52.722
where: short stacking energy: -27.770
Base-Backbone interact. energy: -0.237
local terms energy: -56.253683
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -91.586100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.586100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.586100 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -34.630
Base-Backbone interact. energy: -0.047
local terms energy: -48.287332
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: 1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -89.274726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.274726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.274726 (E_RNA)
where:
Base-Base interactions energy: -40.767
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.800
local terms energy: -47.707405
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -94.741284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.741284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.741284 (E_RNA)
where:
Base-Base interactions energy: -44.238
where: short stacking energy: -44.141
Base-Backbone interact. energy: -0.237
local terms energy: -50.266886
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -9.119
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -89.298566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.298566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.298566 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -36.163
Base-Backbone interact. energy: -0.158
local terms energy: -49.267562
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -241.154085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.154085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.154085 (E_RNA)
where:
Base-Base interactions energy: -172.870
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.590
local terms energy: -67.694552
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -6.008
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: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -250.863221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.863221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.863221 (E_RNA)
where:
Base-Base interactions energy: -171.956
where: short stacking energy: -75.682
Base-Backbone interact. energy: -0.510
local terms energy: -78.397128
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -240.030954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.030954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.030954 (E_RNA)
where:
Base-Base interactions energy: -167.093
where: short stacking energy: -74.644
Base-Backbone interact. energy: -0.385
local terms energy: -72.553089
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -193.789782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.789782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.789782 (E_RNA)
where:
Base-Base interactions energy: -115.242
where: short stacking energy: -49.047
Base-Backbone interact. energy: -0.234
local terms energy: -78.313511
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -10.401
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: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -185.997600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.997600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.997600 (E_RNA)
where:
Base-Base interactions energy: -114.499
where: short stacking energy: -57.820
Base-Backbone interact. energy: -0.172
local terms energy: -71.326288
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -13.698
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: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -93.898352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.898352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.898352 (E_RNA)
where:
Base-Base interactions energy: -30.679
where: short stacking energy: -29.635
Base-Backbone interact. energy: 0.940
local terms energy: -64.159375
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -99.095217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.095217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.095217 (E_RNA)
where:
Base-Base interactions energy: -45.732
where: short stacking energy: -33.848
Base-Backbone interact. energy: -0.074
local terms energy: -53.288895
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -3.268
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: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -95.555633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555633 (E_RNA)
where:
Base-Base interactions energy: -41.678
where: short stacking energy: -37.683
Base-Backbone interact. energy: -0.149
local terms energy: -53.728951
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -101.021680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.021680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.021680 (E_RNA)
where:
Base-Base interactions energy: -41.136
where: short stacking energy: -41.136
Base-Backbone interact. energy: 0.426
local terms energy: -60.312122
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -80.202538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.202538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.202538 (E_RNA)
where:
Base-Base interactions energy: -29.230
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.185
local terms energy: -50.787765
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -13.244
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: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -250.802470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.802470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.802470 (E_RNA)
where:
Base-Base interactions energy: -167.330
where: short stacking energy: -72.364
Base-Backbone interact. energy: -0.936
local terms energy: -82.536522
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -235.015554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.015554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.015554 (E_RNA)
where:
Base-Base interactions energy: -150.594
where: short stacking energy: -66.281
Base-Backbone interact. energy: -0.975
local terms energy: -83.446821
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -239.116568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.116568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.116568 (E_RNA)
where:
Base-Base interactions energy: -163.796
where: short stacking energy: -70.501
Base-Backbone interact. energy: 0.304
local terms energy: -75.624997
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -191.078882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.078882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.078882 (E_RNA)
where:
Base-Base interactions energy: -123.880
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.651
local terms energy: -66.547397
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -8.255
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: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -177.562356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.562356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.562356 (E_RNA)
where:
Base-Base interactions energy: -105.667
where: short stacking energy: -55.014
Base-Backbone interact. energy: 0.250
local terms energy: -72.144588
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -11.976
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: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -106.031773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.031773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.031773 (E_RNA)
where:
Base-Base interactions energy: -39.183
where: short stacking energy: -39.183
Base-Backbone interact. energy: -0.160
local terms energy: -66.689073
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -10.894
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: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -103.322512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.322512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.322512 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -38.857
Base-Backbone interact. energy: -0.729
local terms energy: -58.381292
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -5.452
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: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -93.148439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.148439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.148439 (E_RNA)
where:
Base-Base interactions energy: -44.618
where: short stacking energy: -37.072
Base-Backbone interact. energy: -0.245
local terms energy: -48.285210
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -85.326269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.326269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.326269 (E_RNA)
where:
Base-Base interactions energy: -31.944
where: short stacking energy: -25.017
Base-Backbone interact. energy: -0.210
local terms energy: -53.172411
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.944
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: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -79.419372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.419372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.419372 (E_RNA)
where:
Base-Base interactions energy: -32.208
where: short stacking energy: -32.208
Base-Backbone interact. energy: 2.357
local terms energy: -49.567688
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -8.138
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -255.852315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.852315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.852315 (E_RNA)
where:
Base-Base interactions energy: -175.149
where: short stacking energy: -76.288
Base-Backbone interact. energy: 1.233
local terms energy: -81.936513
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -242.765778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.765778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.765778 (E_RNA)
where:
Base-Base interactions energy: -165.195
where: short stacking energy: -78.956
Base-Backbone interact. energy: -0.337
local terms energy: -77.233691
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -233.269515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.269515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.269515 (E_RNA)
where:
Base-Base interactions energy: -159.837
where: short stacking energy: -69.344
Base-Backbone interact. energy: 0.435
local terms energy: -73.868403
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -203.456444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.456444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.456444 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -71.935
Base-Backbone interact. energy: -0.746
local terms energy: -73.769762
where:
bonds (distance) C4'-P energy: -8.702
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -172.369031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.369031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.369031 (E_RNA)
where:
Base-Base interactions energy: -106.126
where: short stacking energy: -50.300
Base-Backbone interact. energy: -0.216
local terms energy: -66.026997
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -105.567380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.567380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.567380 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -41.260
Base-Backbone interact. energy: 1.391
local terms energy: -65.698290
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.540
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: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -97.934649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.934649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.934649 (E_RNA)
where:
Base-Base interactions energy: -45.041
where: short stacking energy: -34.035
Base-Backbone interact. energy: -0.256
local terms energy: -52.637456
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -96.352394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.352394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.352394 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -35.327
Base-Backbone interact. energy: -1.084
local terms energy: -58.972837
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -8.737
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: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -95.798261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.798261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.798261 (E_RNA)
where:
Base-Base interactions energy: -28.393
where: short stacking energy: -27.845
Base-Backbone interact. energy: -0.003
local terms energy: -67.402525
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -75.142463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.142463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.142463 (E_RNA)
where:
Base-Base interactions energy: -29.703
where: short stacking energy: -23.217
Base-Backbone interact. energy: 0.277
local terms energy: -45.715897
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: 4.163
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: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -244.968036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.968036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.968036 (E_RNA)
where:
Base-Base interactions energy: -160.400
where: short stacking energy: -75.849
Base-Backbone interact. energy: 0.160
local terms energy: -84.727762
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -236.855531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.855531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.855531 (E_RNA)
where:
Base-Base interactions energy: -166.413
where: short stacking energy: -76.282
Base-Backbone interact. energy: -0.856
local terms energy: -69.585899
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -19.466
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: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -197.668822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.668822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.668822 (E_RNA)
where:
Base-Base interactions energy: -121.721
where: short stacking energy: -76.005
Base-Backbone interact. energy: -0.757
local terms energy: -75.191141
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -8.767
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -22.196
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: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -236.163856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.163856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.163856 (E_RNA)
where:
Base-Base interactions energy: -163.376
where: short stacking energy: -71.177
Base-Backbone interact. energy: 0.045
local terms energy: -72.832631
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -7.987
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: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -117.121359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.121359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.121359 (E_RNA)
where:
Base-Base interactions energy: -44.286
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.483
local terms energy: -72.352421
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -10.291
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: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -165.588956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.588956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.588956 (E_RNA)
where:
Base-Base interactions energy: -102.742
where: short stacking energy: -40.935
Base-Backbone interact. energy: -0.285
local terms energy: -62.562274
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -97.118831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.118831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.118831 (E_RNA)
where:
Base-Base interactions energy: -42.157
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.084
local terms energy: -54.878211
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.073
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: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -96.526172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.526172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.526172 (E_RNA)
where:
Base-Base interactions energy: -35.581
where: short stacking energy: -35.478
Base-Backbone interact. energy: -0.641
local terms energy: -60.304773
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -7.393
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: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -86.790906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.790906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.790906 (E_RNA)
where:
Base-Base interactions energy: -40.633
where: short stacking energy: -37.064
Base-Backbone interact. energy: -0.380
local terms energy: -45.777721
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -1.881
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -84.067489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.067489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.067489 (E_RNA)
where:
Base-Base interactions energy: -35.398
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.791
local terms energy: -47.879003
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -6.757
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: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -242.705427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.705427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.705427 (E_RNA)
where:
Base-Base interactions energy: -157.860
where: short stacking energy: -80.095
Base-Backbone interact. energy: -0.323
local terms energy: -84.522623
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -252.977522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.977522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.977522 (E_RNA)
where:
Base-Base interactions energy: -168.762
where: short stacking energy: -71.364
Base-Backbone interact. energy: -0.495
local terms energy: -83.720694
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -12.713
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: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -210.694550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.694550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.694550 (E_RNA)
where:
Base-Base interactions energy: -134.870
where: short stacking energy: -72.958
Base-Backbone interact. energy: -0.254
local terms energy: -75.570925
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.812
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: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -243.604666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.604666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.604666 (E_RNA)
where:
Base-Base interactions energy: -172.524
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.208
local terms energy: -70.871966
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -11.266
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: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -128.017230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.017230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.017230 (E_RNA)
where:
Base-Base interactions energy: -56.426
where: short stacking energy: -37.809
Base-Backbone interact. energy: -0.868
local terms energy: -70.723490
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.861
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: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -175.676973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.676973 (E_RNA)
where:
Base-Base interactions energy: -108.285
where: short stacking energy: -54.559
Base-Backbone interact. energy: -0.236
local terms energy: -67.156793
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -14.829
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: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -93.765403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.765403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.765403 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -30.323
Base-Backbone interact. energy: -0.894
local terms energy: -56.633441
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -4.165
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -94.973898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.973898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.973898 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -27.313
Base-Backbone interact. energy: -0.107
local terms energy: -62.736277
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -86.263926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.263926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.263926 (E_RNA)
where:
Base-Base interactions energy: -32.477
where: short stacking energy: -25.086
Base-Backbone interact. energy: -0.176
local terms energy: -53.611232
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -86.500129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.500129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.500129 (E_RNA)
where:
Base-Base interactions energy: -35.081
where: short stacking energy: -29.170
Base-Backbone interact. energy: -0.287
local terms energy: -51.132526
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -253.632017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.632017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.632017 (E_RNA)
where:
Base-Base interactions energy: -171.712
where: short stacking energy: -76.431
Base-Backbone interact. energy: -0.274
local terms energy: -81.646247
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -247.475798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.475798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.475798 (E_RNA)
where:
Base-Base interactions energy: -169.668
where: short stacking energy: -67.110
Base-Backbone interact. energy: 0.328
local terms energy: -78.135615
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -244.546035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.546035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.546035 (E_RNA)
where:
Base-Base interactions energy: -171.147
where: short stacking energy: -68.258
Base-Backbone interact. energy: -0.332
local terms energy: -73.066986
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -190.281582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.281582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.281582 (E_RNA)
where:
Base-Base interactions energy: -110.907
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.878
local terms energy: -78.495964
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -16.789
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: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -194.579152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.579152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.579152 (E_RNA)
where:
Base-Base interactions energy: -115.739
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.875
local terms energy: -77.965447
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -10.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -107.183978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.183978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.183978 (E_RNA)
where:
Base-Base interactions energy: -42.664
where: short stacking energy: -38.805
Base-Backbone interact. energy: 2.430
local terms energy: -66.949196
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -10.730
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: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -111.895841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.895841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.895841 (E_RNA)
where:
Base-Base interactions energy: -45.547
where: short stacking energy: -45.547
Base-Backbone interact. energy: -0.018
local terms energy: -66.330125
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -98.024662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.024662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.024662 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.091
local terms energy: -62.252953
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -88.282618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.282618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.282618 (E_RNA)
where:
Base-Base interactions energy: -31.572
where: short stacking energy: -26.675
Base-Backbone interact. energy: -1.026
local terms energy: -55.685593
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -89.177261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.177261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.177261 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.459
local terms energy: -53.062601
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -255.150779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.150779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.150779 (E_RNA)
where:
Base-Base interactions energy: -176.432
where: short stacking energy: -76.569
Base-Backbone interact. energy: -0.581
local terms energy: -78.137414
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -237.272335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.272335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.272335 (E_RNA)
where:
Base-Base interactions energy: -159.552
where: short stacking energy: -68.041
Base-Backbone interact. energy: -0.132
local terms energy: -77.589103
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -12.862
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: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -239.274437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.274437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.274437 (E_RNA)
where:
Base-Base interactions energy: -165.310
where: short stacking energy: -69.195
Base-Backbone interact. energy: -0.189
local terms energy: -73.775221
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -13.772
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: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -195.465778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.465778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.465778 (E_RNA)
where:
Base-Base interactions energy: -122.022
where: short stacking energy: -58.286
Base-Backbone interact. energy: -0.254
local terms energy: -73.190315
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -18.083
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: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -192.724375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.724375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.724375 (E_RNA)
where:
Base-Base interactions energy: -122.629
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.017
local terms energy: -70.078377
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.219
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: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -98.850452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.850452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.850452 (E_RNA)
where:
Base-Base interactions energy: -39.049
where: short stacking energy: -36.900
Base-Backbone interact. energy: -0.149
local terms energy: -59.652261
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -1.164
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -95.358514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.358514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.358514 (E_RNA)
where:
Base-Base interactions energy: -31.393
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.042
local terms energy: -63.922939
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -98.178532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.178532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.178532 (E_RNA)
where:
Base-Base interactions energy: -37.370
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.023
local terms energy: -60.785810
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -102.244740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.244740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.244740 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -34.575
Base-Backbone interact. energy: 0.150
local terms energy: -65.343949
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -10.685
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: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -83.549254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.549254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.549254 (E_RNA)
where:
Base-Base interactions energy: -33.761
where: short stacking energy: -33.339
Base-Backbone interact. energy: -0.112
local terms energy: -49.676162
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -251.295803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.295803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.295803 (E_RNA)
where:
Base-Base interactions energy: -171.277
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.633
local terms energy: -79.385502
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -238.820897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.820897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.820897 (E_RNA)
where:
Base-Base interactions energy: -162.929
where: short stacking energy: -64.086
Base-Backbone interact. energy: -1.257
local terms energy: -74.635371
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -16.363
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: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -233.219814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.219814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.219814 (E_RNA)
where:
Base-Base interactions energy: -157.178
where: short stacking energy: -75.361
Base-Backbone interact. energy: -0.438
local terms energy: -75.604168
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -205.484001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.484001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.484001 (E_RNA)
where:
Base-Base interactions energy: -128.690
where: short stacking energy: -64.951
Base-Backbone interact. energy: -1.318
local terms energy: -75.475995
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -181.303250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.303250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.303250 (E_RNA)
where:
Base-Base interactions energy: -109.365
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.400
local terms energy: -71.538558
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -106.509441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.509441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.509441 (E_RNA)
where:
Base-Base interactions energy: -44.742
where: short stacking energy: -44.742
Base-Backbone interact. energy: -0.246
local terms energy: -61.521592
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.317
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: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -91.882865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.882865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.882865 (E_RNA)
where:
Base-Base interactions energy: -36.098
where: short stacking energy: -30.213
Base-Backbone interact. energy: -1.160
local terms energy: -54.624780
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: 1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -106.044517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.044517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.044517 (E_RNA)
where:
Base-Base interactions energy: -50.088
where: short stacking energy: -50.088
Base-Backbone interact. energy: -0.063
local terms energy: -55.893148
where:
bonds (distance) C4'-P energy: -7.057
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -102.497441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.497441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.497441 (E_RNA)
where:
Base-Base interactions energy: -63.493
where: short stacking energy: -32.216
Base-Backbone interact. energy: 5.651
local terms energy: -44.655329
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -5.875
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -5.264
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: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -84.134600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.134600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.134600 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -28.678
Base-Backbone interact. energy: -0.216
local terms energy: -51.502136
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -6.798
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: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -257.594471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.594471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.594471 (E_RNA)
where:
Base-Base interactions energy: -183.205
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.493
local terms energy: -73.897116
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -235.890412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.890412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.890412 (E_RNA)
where:
Base-Base interactions energy: -150.209
where: short stacking energy: -71.521
Base-Backbone interact. energy: -1.459
local terms energy: -84.221992
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -238.050591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.050591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.050591 (E_RNA)
where:
Base-Base interactions energy: -168.682
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.675
local terms energy: -68.694245
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -12.471
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: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -194.906713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.906713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.906713 (E_RNA)
where:
Base-Base interactions energy: -121.416
where: short stacking energy: -60.322
Base-Backbone interact. energy: -0.763
local terms energy: -72.727879
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -195.113978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.113978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.113978 (E_RNA)
where:
Base-Base interactions energy: -118.802
where: short stacking energy: -67.413
Base-Backbone interact. energy: -0.077
local terms energy: -76.234348
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -91.660800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.660800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.660800 (E_RNA)
where:
Base-Base interactions energy: -47.785
where: short stacking energy: -41.399
Base-Backbone interact. energy: 0.549
local terms energy: -44.423999
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -6.785
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -115.377146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.377146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.377146 (E_RNA)
where:
Base-Base interactions energy: -59.700
where: short stacking energy: -43.198
Base-Backbone interact. energy: -0.185
local terms energy: -55.492028
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -6.803
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: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -90.239466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.239466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.239466 (E_RNA)
where:
Base-Base interactions energy: -38.492
where: short stacking energy: -38.492
Base-Backbone interact. energy: 0.429
local terms energy: -52.176211
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -102.518225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.518225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.518225 (E_RNA)
where:
Base-Base interactions energy: -49.869
where: short stacking energy: -41.236
Base-Backbone interact. energy: -0.088
local terms energy: -52.560871
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -84.362700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.362700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.362700 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -20.564
Base-Backbone interact. energy: -0.195
local terms energy: -57.694317
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -251.803994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.803994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.803994 (E_RNA)
where:
Base-Base interactions energy: -170.146
where: short stacking energy: -77.435
Base-Backbone interact. energy: -1.234
local terms energy: -80.424900
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -249.943250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.943250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.943250 (E_RNA)
where:
Base-Base interactions energy: -169.528
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.395
local terms energy: -80.020041
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -238.046237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.046237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.046237 (E_RNA)
where:
Base-Base interactions energy: -163.511
where: short stacking energy: -71.425
Base-Backbone interact. energy: 0.044
local terms energy: -74.579352
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -202.635405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.635405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.635405 (E_RNA)
where:
Base-Base interactions energy: -129.667
where: short stacking energy: -63.066
Base-Backbone interact. energy: 0.348
local terms energy: -73.315846
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -200.811306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.811306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.811306 (E_RNA)
where:
Base-Base interactions energy: -124.695
where: short stacking energy: -53.578
Base-Backbone interact. energy: 0.316
local terms energy: -76.431974
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -114.083804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.083804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.083804 (E_RNA)
where:
Base-Base interactions energy: -54.477
where: short stacking energy: -43.494
Base-Backbone interact. energy: -0.263
local terms energy: -59.343882
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -5.078
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: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -106.782671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.782671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.782671 (E_RNA)
where:
Base-Base interactions energy: -59.982
where: short stacking energy: -40.407
Base-Backbone interact. energy: -0.067
local terms energy: -46.733711
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -90.319168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.319168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.319168 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -35.663
Base-Backbone interact. energy: -0.202
local terms energy: -51.819535
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -8.110
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: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -90.728550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.728550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.728550 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.036
local terms energy: -56.645017
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -79.109338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.109338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.109338 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -31.072
Base-Backbone interact. energy: -0.140
local terms energy: -47.898009
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -5.244
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: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -241.246897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.246897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.246897 (E_RNA)
where:
Base-Base interactions energy: -165.313
where: short stacking energy: -74.058
Base-Backbone interact. energy: -1.915
local terms energy: -74.018622
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -244.865374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.865374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.865374 (E_RNA)
where:
Base-Base interactions energy: -168.586
where: short stacking energy: -76.475
Base-Backbone interact. energy: -0.297
local terms energy: -75.982584
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -242.968874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.968874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.968874 (E_RNA)
where:
Base-Base interactions energy: -159.590
where: short stacking energy: -78.001
Base-Backbone interact. energy: -0.704
local terms energy: -82.675227
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -18.567
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: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -182.643293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.643293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.643293 (E_RNA)
where:
Base-Base interactions energy: -119.452
where: short stacking energy: -44.427
Base-Backbone interact. energy: -0.103
local terms energy: -63.087845
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -10.368
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: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -174.247190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.247190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.247190 (E_RNA)
where:
Base-Base interactions energy: -101.516
where: short stacking energy: -54.919
Base-Backbone interact. energy: 0.210
local terms energy: -72.940861
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -128.005750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.005750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.005750 (E_RNA)
where:
Base-Base interactions energy: -60.197
where: short stacking energy: -46.233
Base-Backbone interact. energy: -0.001
local terms energy: -67.807973
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -119.567191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.567191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.567191 (E_RNA)
where:
Base-Base interactions energy: -53.076
where: short stacking energy: -47.008
Base-Backbone interact. energy: -0.054
local terms energy: -66.436555
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -98.843939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.843939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.843939 (E_RNA)
where:
Base-Base interactions energy: -37.208
where: short stacking energy: -37.188
Base-Backbone interact. energy: -0.004
local terms energy: -61.632536
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -89.744994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.744994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.744994 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -28.389
Base-Backbone interact. energy: -1.610
local terms energy: -57.788811
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -87.452970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.452970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.452970 (E_RNA)
where:
Base-Base interactions energy: -38.327
where: short stacking energy: -35.589
Base-Backbone interact. energy: -0.168
local terms energy: -48.958031
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -8.098
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: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -240.104539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.104539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.104539 (E_RNA)
where:
Base-Base interactions energy: -164.525
where: short stacking energy: -65.653
Base-Backbone interact. energy: 1.051
local terms energy: -76.630644
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -243.065314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.065314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.065314 (E_RNA)
where:
Base-Base interactions energy: -164.122
where: short stacking energy: -71.100
Base-Backbone interact. energy: -1.306
local terms energy: -77.638071
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -207.781620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.781620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.781620 (E_RNA)
where:
Base-Base interactions energy: -130.229
where: short stacking energy: -68.454
Base-Backbone interact. energy: -0.021
local terms energy: -77.531728
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -237.101375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.101375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.101375 (E_RNA)
where:
Base-Base interactions energy: -160.765
where: short stacking energy: -65.501
Base-Backbone interact. energy: 1.008
local terms energy: -77.344601
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -107.340624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.340624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.340624 (E_RNA)
where:
Base-Base interactions energy: -48.335
where: short stacking energy: -35.299
Base-Backbone interact. energy: -0.170
local terms energy: -58.835776
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -161.739276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.739276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.739276 (E_RNA)
where:
Base-Base interactions energy: -92.965
where: short stacking energy: -52.236
Base-Backbone interact. energy: -0.100
local terms energy: -68.674606
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -96.087932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.087932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.087932 (E_RNA)
where:
Base-Base interactions energy: -34.763
where: short stacking energy: -34.763
Base-Backbone interact. energy: -0.081
local terms energy: -61.243621
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -87.793486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.793486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.793486 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.741
local terms energy: -50.395198
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -90.668051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.668051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.668051 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -35.388
Base-Backbone interact. energy: 0.511
local terms energy: -54.465234
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -89.665781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.665781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.665781 (E_RNA)
where:
Base-Base interactions energy: -31.093
where: short stacking energy: -29.443
Base-Backbone interact. energy: -0.050
local terms energy: -58.522325
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -263.764462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.764462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.764462 (E_RNA)
where:
Base-Base interactions energy: -190.298
where: short stacking energy: -71.833
Base-Backbone interact. energy: -1.083
local terms energy: -72.383614
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -13.620
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: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -224.854818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.854818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.854818 (E_RNA)
where:
Base-Base interactions energy: -137.839
where: short stacking energy: -77.105
Base-Backbone interact. energy: -0.002
local terms energy: -87.013637
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -23.434
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: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -233.506355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.506355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.506355 (E_RNA)
where:
Base-Base interactions energy: -158.641
where: short stacking energy: -70.196
Base-Backbone interact. energy: -0.389
local terms energy: -74.476480
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -18.826
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: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -225.257858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.257858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.257858 (E_RNA)
where:
Base-Base interactions energy: -150.207
where: short stacking energy: -72.978
Base-Backbone interact. energy: -0.098
local terms energy: -74.952834
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -10.998
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: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -108.266377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.266377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.266377 (E_RNA)
where:
Base-Base interactions energy: -51.101
where: short stacking energy: -38.422
Base-Backbone interact. energy: 0.004
local terms energy: -57.169411
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -178.256243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.256243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.256243 (E_RNA)
where:
Base-Base interactions energy: -116.976
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.511
local terms energy: -60.769302
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -15.073
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: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -107.216347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.216347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.216347 (E_RNA)
where:
Base-Base interactions energy: -48.786
where: short stacking energy: -48.786
Base-Backbone interact. energy: -0.159
local terms energy: -58.271089
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -89.649459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.649459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.649459 (E_RNA)
where:
Base-Base interactions energy: -32.404
where: short stacking energy: -32.345
Base-Backbone interact. energy: -0.169
local terms energy: -57.076194
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -85.088104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.088104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.088104 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -23.407
Base-Backbone interact. energy: -0.017
local terms energy: -61.590946
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -86.961920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.961920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.961920 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -29.791
Base-Backbone interact. energy: -0.284
local terms energy: -55.446292
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -259.412092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.412092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.412092 (E_RNA)
where:
Base-Base interactions energy: -183.843
where: short stacking energy: -70.262
Base-Backbone interact. energy: -0.511
local terms energy: -75.058335
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -213.711871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.711871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.711871 (E_RNA)
where:
Base-Base interactions energy: -136.557
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.615
local terms energy: -76.539599
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -231.562808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.562808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.562808 (E_RNA)
where:
Base-Base interactions energy: -155.847
where: short stacking energy: -69.670
Base-Backbone interact. energy: -0.456
local terms energy: -75.259372
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -12.476
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: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -232.097904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.097904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.097904 (E_RNA)
where:
Base-Base interactions energy: -155.322
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.838
local terms energy: -75.937965
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -182.703550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.703550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.703550 (E_RNA)
where:
Base-Base interactions energy: -110.674
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.402
local terms energy: -71.627802
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -119.968509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.968509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.968509 (E_RNA)
where:
Base-Base interactions energy: -50.241
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.637
local terms energy: -69.090221
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -102.018093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.018093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.018093 (E_RNA)
where:
Base-Base interactions energy: -45.587
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.393
local terms energy: -56.038180
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -3.136
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: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -94.769491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.769491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.769491 (E_RNA)
where:
Base-Base interactions energy: -29.427
where: short stacking energy: -28.157
Base-Backbone interact. energy: -1.121
local terms energy: -64.221514
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -84.465715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.465715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.465715 (E_RNA)
where:
Base-Base interactions energy: -30.780
where: short stacking energy: -29.526
Base-Backbone interact. energy: -1.409
local terms energy: -52.276376
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -98.128284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.128284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.128284 (E_RNA)
where:
Base-Base interactions energy: -48.011
where: short stacking energy: -17.602
Base-Backbone interact. energy: -0.884
local terms energy: -49.233312
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: 3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -258.719467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.719467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.719467 (E_RNA)
where:
Base-Base interactions energy: -190.786
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.251
local terms energy: -67.682483
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -11.774
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: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -238.617771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.617771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.617771 (E_RNA)
where:
Base-Base interactions energy: -156.038
where: short stacking energy: -75.847
Base-Backbone interact. energy: -0.887
local terms energy: -81.692852
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -23.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -212.940088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.940088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.940088 (E_RNA)
where:
Base-Base interactions energy: -132.452
where: short stacking energy: -75.011
Base-Backbone interact. energy: -0.092
local terms energy: -80.396844
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -220.799675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.799675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.799675 (E_RNA)
where:
Base-Base interactions energy: -138.905
where: short stacking energy: -61.836
Base-Backbone interact. energy: -0.415
local terms energy: -81.480021
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -167.349405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.349405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.349405 (E_RNA)
where:
Base-Base interactions energy: -102.409
where: short stacking energy: -49.834
Base-Backbone interact. energy: -1.185
local terms energy: -63.754951
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -6.168
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: 455
Temperature: 1.150000
Total energy: -102.571521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.571521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.571521 (E_RNA)
where:
Base-Base interactions energy: -37.906
where: short stacking energy: -32.088
Base-Backbone interact. energy: 0.134
local terms energy: -64.799334
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -110.352965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.352965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.352965 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -39.682
Base-Backbone interact. energy: -0.014
local terms energy: -64.603409
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -7.295
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: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -97.134394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.134394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.134394 (E_RNA)
where:
Base-Base interactions energy: -52.545
where: short stacking energy: -39.985
Base-Backbone interact. energy: -0.124
local terms energy: -44.465074
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -78.619007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.619007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.619007 (E_RNA)
where:
Base-Base interactions energy: -28.551
where: short stacking energy: -28.433
Base-Backbone interact. energy: 0.152
local terms energy: -50.219814
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -84.943299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.943299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.943299 (E_RNA)
where:
Base-Base interactions energy: -42.635
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.566
local terms energy: -41.742183
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -260.320740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.320740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.320740 (E_RNA)
where:
Base-Base interactions energy: -189.208
where: short stacking energy: -67.057
Base-Backbone interact. energy: -0.339
local terms energy: -70.774028
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -247.092484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.092484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.092484 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.540
local terms energy: -80.358559
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -240.442903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.442903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.442903 (E_RNA)
where:
Base-Base interactions energy: -160.483
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.262
local terms energy: -79.697075
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -17.876
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: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -198.865199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.865199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.865199 (E_RNA)
where:
Base-Base interactions energy: -137.383
where: short stacking energy: -52.233
Base-Backbone interact. energy: -0.060
local terms energy: -61.422424
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -194.794812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.794812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.794812 (E_RNA)
where:
Base-Base interactions energy: -120.432
where: short stacking energy: -59.658
Base-Backbone interact. energy: -0.795
local terms energy: -73.567435
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -13.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -105.947677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.947677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.947677 (E_RNA)
where:
Base-Base interactions energy: -47.444
where: short stacking energy: -35.363
Base-Backbone interact. energy: -0.209
local terms energy: -58.294462
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -97.158516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.158516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.158516 (E_RNA)
where:
Base-Base interactions energy: -46.560
where: short stacking energy: -23.170
Base-Backbone interact. energy: -0.253
local terms energy: -50.345591
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: 1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -87.442465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.442465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.442465 (E_RNA)
where:
Base-Base interactions energy: -30.863
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.729
local terms energy: -55.850944
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -5.799
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: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -92.609268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.609268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.609268 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.181
local terms energy: -59.701967
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -80.047800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.047800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.047800 (E_RNA)
where:
Base-Base interactions energy: -27.151
where: short stacking energy: -26.919
Base-Backbone interact. energy: -0.238
local terms energy: -52.658403
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -4.399
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: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -262.001616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.001616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.001616 (E_RNA)
where:
Base-Base interactions energy: -185.212
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.315
local terms energy: -76.474700
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -245.432113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.432113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.432113 (E_RNA)
where:
Base-Base interactions energy: -161.013
where: short stacking energy: -72.390
Base-Backbone interact. energy: -0.743
local terms energy: -83.675936
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -10.292
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: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -232.133067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.133067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.133067 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.512
local terms energy: -80.189885
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -187.907124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.907124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.907124 (E_RNA)
where:
Base-Base interactions energy: -116.022
where: short stacking energy: -52.495
Base-Backbone interact. energy: -0.775
local terms energy: -71.110566
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -12.215
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: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -204.337543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.337543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.337543 (E_RNA)
where:
Base-Base interactions energy: -132.456
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.008
local terms energy: -71.873917
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -12.284
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: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -105.980819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.980819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.980819 (E_RNA)
where:
Base-Base interactions energy: -49.933
where: short stacking energy: -38.027
Base-Backbone interact. energy: -0.196
local terms energy: -55.852185
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -8.819
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -95.440149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.440149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.440149 (E_RNA)
where:
Base-Base interactions energy: -36.684
where: short stacking energy: -36.657
Base-Backbone interact. energy: -0.087
local terms energy: -58.668824
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -106.092301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.092301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.092301 (E_RNA)
where:
Base-Base interactions energy: -56.424
where: short stacking energy: -46.203
Base-Backbone interact. energy: -0.125
local terms energy: -49.544025
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -97.710070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.710070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.710070 (E_RNA)
where:
Base-Base interactions energy: -41.885
where: short stacking energy: -37.034
Base-Backbone interact. energy: 0.132
local terms energy: -55.957407
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -96.399312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.399312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.399312 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -29.167
Base-Backbone interact. energy: -0.140
local terms energy: -64.314035
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -9.679
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: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -243.721396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.721396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.721396 (E_RNA)
where:
Base-Base interactions energy: -161.822
where: short stacking energy: -69.633
Base-Backbone interact. energy: 0.288
local terms energy: -82.187456
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -244.544735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.544735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.544735 (E_RNA)
where:
Base-Base interactions energy: -168.596
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.739
local terms energy: -75.210358
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -14.815
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: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -232.445878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.445878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.445878 (E_RNA)
where:
Base-Base interactions energy: -157.878
where: short stacking energy: -73.314
Base-Backbone interact. energy: -0.451
local terms energy: -74.116757
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -195.126184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.126184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.126184 (E_RNA)
where:
Base-Base interactions energy: -125.465
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.051
local terms energy: -69.610907
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -195.324713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.324713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.324713 (E_RNA)
where:
Base-Base interactions energy: -120.255
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.553
local terms energy: -74.516795
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -10.454
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: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -115.238745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.238745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.238745 (E_RNA)
where:
Base-Base interactions energy: -51.662
where: short stacking energy: -45.256
Base-Backbone interact. energy: -1.030
local terms energy: -62.546064
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -6.394
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -95.705615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705615 (E_RNA)
where:
Base-Base interactions energy: -44.653
where: short stacking energy: -35.999
Base-Backbone interact. energy: -0.757
local terms energy: -50.295943
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: 0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -126.959414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.959414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.959414 (E_RNA)
where:
Base-Base interactions energy: -72.887
where: short stacking energy: -34.055
Base-Backbone interact. energy: 1.013
local terms energy: -55.085960
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -91.227586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.227586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.227586 (E_RNA)
where:
Base-Base interactions energy: -31.193
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.073
local terms energy: -59.960827
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -81.693112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.693112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.693112 (E_RNA)
where:
Base-Base interactions energy: -29.105
where: short stacking energy: -19.569
Base-Backbone interact. energy: -0.071
local terms energy: -52.517804
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -11.037
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: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -237.323118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.323118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.323118 (E_RNA)
where:
Base-Base interactions energy: -155.529
where: short stacking energy: -60.549
Base-Backbone interact. energy: -0.146
local terms energy: -81.648440
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -12.597
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: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -259.645765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.645765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.645765 (E_RNA)
where:
Base-Base interactions energy: -181.350
where: short stacking energy: -63.370
Base-Backbone interact. energy: -1.331
local terms energy: -76.964295
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -236.832081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.832081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.832081 (E_RNA)
where:
Base-Base interactions energy: -160.415
where: short stacking energy: -80.136
Base-Backbone interact. energy: -0.470
local terms energy: -75.946673
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -186.577555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.577555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.577555 (E_RNA)
where:
Base-Base interactions energy: -115.741
where: short stacking energy: -56.710
Base-Backbone interact. energy: -0.493
local terms energy: -70.343757
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -196.556359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.556359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.556359 (E_RNA)
where:
Base-Base interactions energy: -128.997
where: short stacking energy: -63.226
Base-Backbone interact. energy: -0.165
local terms energy: -67.393889
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -101.114100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.114100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.114100 (E_RNA)
where:
Base-Base interactions energy: -37.421
where: short stacking energy: -34.661
Base-Backbone interact. energy: 0.117
local terms energy: -63.809684
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -83.977698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.977698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.977698 (E_RNA)
where:
Base-Base interactions energy: -32.171
where: short stacking energy: -28.323
Base-Backbone interact. energy: -0.079
local terms energy: -51.727304
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -106.775077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.775077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.775077 (E_RNA)
where:
Base-Base interactions energy: -48.197
where: short stacking energy: -40.201
Base-Backbone interact. energy: -0.034
local terms energy: -58.544007
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -6.409
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: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -142.613108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.613108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.613108 (E_RNA)
where:
Base-Base interactions energy: -84.576
where: short stacking energy: -43.204
Base-Backbone interact. energy: -0.241
local terms energy: -57.796982
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -90.000345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.000345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.000345 (E_RNA)
where:
Base-Base interactions energy: -43.354
where: short stacking energy: -32.881
Base-Backbone interact. energy: -0.165
local terms energy: -46.481535
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -8.979
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: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -254.690494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.690494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.690494 (E_RNA)
where:
Base-Base interactions energy: -176.965
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.357
local terms energy: -77.368871
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -244.217158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.217158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.217158 (E_RNA)
where:
Base-Base interactions energy: -159.923
where: short stacking energy: -71.250
Base-Backbone interact. energy: 0.088
local terms energy: -84.381980
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -243.259870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.259870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.259870 (E_RNA)
where:
Base-Base interactions energy: -162.962
where: short stacking energy: -75.297
Base-Backbone interact. energy: -0.536
local terms energy: -79.762197
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -192.754701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.754701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.754701 (E_RNA)
where:
Base-Base interactions energy: -125.604
where: short stacking energy: -55.696
Base-Backbone interact. energy: -1.179
local terms energy: -65.971310
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -199.540442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.540442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.540442 (E_RNA)
where:
Base-Base interactions energy: -123.755
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.005
local terms energy: -75.780310
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -123.028770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.028770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.028770 (E_RNA)
where:
Base-Base interactions energy: -62.465
where: short stacking energy: -41.011
Base-Backbone interact. energy: -1.811
local terms energy: -58.752978
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -114.243350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.243350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.243350 (E_RNA)
where:
Base-Base interactions energy: -47.190
where: short stacking energy: -43.667
Base-Backbone interact. energy: -0.014
local terms energy: -67.039888
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -99.896849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.896849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.896849 (E_RNA)
where:
Base-Base interactions energy: -46.717
where: short stacking energy: -36.752
Base-Backbone interact. energy: -0.098
local terms energy: -53.081777
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -11.505
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: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -89.407039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.407039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.407039 (E_RNA)
where:
Base-Base interactions energy: -34.816
where: short stacking energy: -32.471
Base-Backbone interact. energy: -0.065
local terms energy: -54.525897
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -8.338
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: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -75.563051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.563051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.563051 (E_RNA)
where:
Base-Base interactions energy: -23.482
where: short stacking energy: -21.285
Base-Backbone interact. energy: -0.141
local terms energy: -51.940564
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -13.338
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: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -258.143914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.143914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.143914 (E_RNA)
where:
Base-Base interactions energy: -183.858
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.190
local terms energy: -74.095965
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -251.348591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.348591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.348591 (E_RNA)
where:
Base-Base interactions energy: -171.603
where: short stacking energy: -67.942
Base-Backbone interact. energy: -0.387
local terms energy: -79.358455
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -15.707
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: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -235.415291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.415291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.415291 (E_RNA)
where:
Base-Base interactions energy: -156.596
where: short stacking energy: -67.856
Base-Backbone interact. energy: -0.702
local terms energy: -78.116742
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -13.317
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: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -212.282827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.282827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.282827 (E_RNA)
where:
Base-Base interactions energy: -136.174
where: short stacking energy: -77.507
Base-Backbone interact. energy: -1.560
local terms energy: -74.548958
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -23.587
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: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -189.197864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.197864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.197864 (E_RNA)
where:
Base-Base interactions energy: -113.391
where: short stacking energy: -48.848
Base-Backbone interact. energy: 0.012
local terms energy: -75.818312
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -10.172
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: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -121.174790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.174790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.174790 (E_RNA)
where:
Base-Base interactions energy: -62.997
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.987
local terms energy: -57.190075
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -86.833356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.833356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.833356 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -33.131
Base-Backbone interact. energy: 0.373
local terms energy: -53.952191
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -117.317381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.317381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.317381 (E_RNA)
where:
Base-Base interactions energy: -75.756
where: short stacking energy: -27.062
Base-Backbone interact. energy: 1.623
local terms energy: -43.184680
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: 0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -88.718400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.718400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.718400 (E_RNA)
where:
Base-Base interactions energy: -38.530
where: short stacking energy: -28.301
Base-Backbone interact. energy: -0.081
local terms energy: -50.107791
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -7.607
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -87.345555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.345555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.345555 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.206
local terms energy: -46.130800
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -3.206
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: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -261.256104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.256104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.256104 (E_RNA)
where:
Base-Base interactions energy: -179.887
where: short stacking energy: -70.502
Base-Backbone interact. energy: -0.198
local terms energy: -81.171073
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -252.799917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.799917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.799917 (E_RNA)
where:
Base-Base interactions energy: -185.986
where: short stacking energy: -61.712
Base-Backbone interact. energy: -0.140
local terms energy: -66.674024
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -225.518327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.518327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.518327 (E_RNA)
where:
Base-Base interactions energy: -143.291
where: short stacking energy: -77.160
Base-Backbone interact. energy: -0.794
local terms energy: -81.434133
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -8.756
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -227.061940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.061940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.061940 (E_RNA)
where:
Base-Base interactions energy: -155.067
where: short stacking energy: -66.276
Base-Backbone interact. energy: 1.311
local terms energy: -73.306087
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -182.316641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.316641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.316641 (E_RNA)
where:
Base-Base interactions energy: -107.043
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.055
local terms energy: -75.218705
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -111.171452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.171452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.171452 (E_RNA)
where:
Base-Base interactions energy: -55.516
where: short stacking energy: -29.756
Base-Backbone interact. energy: -0.296
local terms energy: -55.359389
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -100.995907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.995907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.995907 (E_RNA)
where:
Base-Base interactions energy: -45.708
where: short stacking energy: -38.189
Base-Backbone interact. energy: -0.454
local terms energy: -54.834163
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.107
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: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -87.727963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.727963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.727963 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -25.941
Base-Backbone interact. energy: -1.087
local terms energy: -53.700378
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -94.713203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.713203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.713203 (E_RNA)
where:
Base-Base interactions energy: -43.936
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.121
local terms energy: -50.655896
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: 1.453
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: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -79.153890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.153890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.153890 (E_RNA)
where:
Base-Base interactions energy: -39.468
where: short stacking energy: -23.477
Base-Backbone interact. energy: -0.123
local terms energy: -39.563069
where:
bonds (distance) C4'-P energy: -6.226
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -254.511624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.511624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.511624 (E_RNA)
where:
Base-Base interactions energy: -169.494
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.363
local terms energy: -84.654451
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -13.583
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: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -257.351447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.351447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.351447 (E_RNA)
where:
Base-Base interactions energy: -183.844
where: short stacking energy: -67.520
Base-Backbone interact. energy: 0.224
local terms energy: -73.731392
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -215.939743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.939743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.939743 (E_RNA)
where:
Base-Base interactions energy: -140.093
where: short stacking energy: -73.875
Base-Backbone interact. energy: -0.066
local terms energy: -75.780578
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -230.723781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.723781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.723781 (E_RNA)
where:
Base-Base interactions energy: -157.268
where: short stacking energy: -75.989
Base-Backbone interact. energy: -0.439
local terms energy: -73.017236
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -11.244
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: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -182.931032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.931032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.931032 (E_RNA)
where:
Base-Base interactions energy: -113.476
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.028
local terms energy: -69.427724
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -16.599
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: 463
Temperature: 1.150000
Total energy: -105.638514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.638514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.638514 (E_RNA)
where:
Base-Base interactions energy: -46.079
where: short stacking energy: -38.821
Base-Backbone interact. energy: -0.094
local terms energy: -59.465443
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -162.283963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.283963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.283963 (E_RNA)
where:
Base-Base interactions energy: -101.683
where: short stacking energy: -52.799
Base-Backbone interact. energy: -1.250
local terms energy: -59.350288
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -7.734
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -11.897
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: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -99.068496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.068496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.068496 (E_RNA)
where:
Base-Base interactions energy: -46.560
where: short stacking energy: -38.789
Base-Backbone interact. energy: -0.051
local terms energy: -52.457723
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -2.892
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -88.948569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.948569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.948569 (E_RNA)
where:
Base-Base interactions energy: -37.032
where: short stacking energy: -23.914
Base-Backbone interact. energy: -0.116
local terms energy: -51.800115
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -7.243
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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -78.334189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.334189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.334189 (E_RNA)
where:
Base-Base interactions energy: -26.661
where: short stacking energy: -23.790
Base-Backbone interact. energy: -0.566
local terms energy: -51.107513
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: 0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -256.222183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.222183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.222183 (E_RNA)
where:
Base-Base interactions energy: -184.256
where: short stacking energy: -65.926
Base-Backbone interact. energy: -0.075
local terms energy: -71.891263
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -246.594606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.594606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.594606 (E_RNA)
where:
Base-Base interactions energy: -169.329
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.972
local terms energy: -76.293646
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -231.423116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.423116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.423116 (E_RNA)
where:
Base-Base interactions energy: -151.027
where: short stacking energy: -66.348
Base-Backbone interact. energy: -0.348
local terms energy: -80.047807
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -221.706177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.706177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.706177 (E_RNA)
where:
Base-Base interactions energy: -142.312
where: short stacking energy: -74.774
Base-Backbone interact. energy: 0.238
local terms energy: -79.631779
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -213.279786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.279786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.279786 (E_RNA)
where:
Base-Base interactions energy: -135.334
where: short stacking energy: -71.677
Base-Backbone interact. energy: -0.001
local terms energy: -77.944753
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -9.832
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: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -114.810410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.810410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.810410 (E_RNA)
where:
Base-Base interactions energy: -52.042
where: short stacking energy: -46.153
Base-Backbone interact. energy: -0.475
local terms energy: -62.293197
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -9.138
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: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -173.862259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.862259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.862259 (E_RNA)
where:
Base-Base interactions energy: -104.201
where: short stacking energy: -38.954
Base-Backbone interact. energy: -0.211
local terms energy: -69.449606
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -10.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -91.308597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.308597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.308597 (E_RNA)
where:
Base-Base interactions energy: -40.345
where: short stacking energy: -40.071
Base-Backbone interact. energy: -0.453
local terms energy: -50.510944
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -104.032426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.032426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.032426 (E_RNA)
where:
Base-Base interactions energy: -43.623
where: short stacking energy: -43.983
Base-Backbone interact. energy: -0.101
local terms energy: -60.309334
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -83.377013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.377013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.377013 (E_RNA)
where:
Base-Base interactions energy: -29.145
where: short stacking energy: -27.067
Base-Backbone interact. energy: -0.058
local terms energy: -54.174095
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -241.999280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.999280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.999280 (E_RNA)
where:
Base-Base interactions energy: -162.307
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.180
local terms energy: -79.512705
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -239.525854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.525854 (E_RNA)
where:
Base-Base interactions energy: -163.096
where: short stacking energy: -75.166
Base-Backbone interact. energy: -0.437
local terms energy: -75.992637
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -231.736949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.736949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.736949 (E_RNA)
where:
Base-Base interactions energy: -163.350
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.389
local terms energy: -67.998713
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -216.068330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.068330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.068330 (E_RNA)
where:
Base-Base interactions energy: -136.675
where: short stacking energy: -75.660
Base-Backbone interact. energy: -0.132
local terms energy: -79.262005
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -203.655847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.655847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.655847 (E_RNA)
where:
Base-Base interactions energy: -122.662
where: short stacking energy: -60.413
Base-Backbone interact. energy: -0.007
local terms energy: -80.987070
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -176.733955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.733955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.733955 (E_RNA)
where:
Base-Base interactions energy: -109.877
where: short stacking energy: -55.105
Base-Backbone interact. energy: -0.222
local terms energy: -66.634720
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -97.616462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.616462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.616462 (E_RNA)
where:
Base-Base interactions energy: -34.120
where: short stacking energy: -34.120
Base-Backbone interact. energy: -0.195
local terms energy: -63.301357
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -102.384074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.384074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.384074 (E_RNA)
where:
Base-Base interactions energy: -40.355
where: short stacking energy: -38.341
Base-Backbone interact. energy: 0.737
local terms energy: -62.765423
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -10.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -81.885309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.885309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.885309 (E_RNA)
where:
Base-Base interactions energy: -32.930
where: short stacking energy: -29.302
Base-Backbone interact. energy: -0.061
local terms energy: -48.894645
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -8.212
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: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -91.682097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.682097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.682097 (E_RNA)
where:
Base-Base interactions energy: -41.105
where: short stacking energy: -41.105
Base-Backbone interact. energy: -0.371
local terms energy: -50.206300
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -238.316898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.316898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.316898 (E_RNA)
where:
Base-Base interactions energy: -159.129
where: short stacking energy: -73.851
Base-Backbone interact. energy: -0.205
local terms energy: -78.982566
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -239.081312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.081312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.081312 (E_RNA)
where:
Base-Base interactions energy: -160.064
where: short stacking energy: -67.206
Base-Backbone interact. energy: -0.149
local terms energy: -78.868890
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -228.554591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.554591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.554591 (E_RNA)
where:
Base-Base interactions energy: -154.579
where: short stacking energy: -63.169
Base-Backbone interact. energy: 0.722
local terms energy: -74.697785
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -14.349
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: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -200.662403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.662403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.662403 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.382
local terms energy: -82.770004
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -216.858234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.858234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.858234 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -66.762
Base-Backbone interact. energy: -1.818
local terms energy: -74.625520
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -182.438324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.438324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.438324 (E_RNA)
where:
Base-Base interactions energy: -120.160
where: short stacking energy: -53.700
Base-Backbone interact. energy: -0.101
local terms energy: -62.178207
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -8.497
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: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -103.742874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.742874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.742874 (E_RNA)
where:
Base-Base interactions energy: -45.100
where: short stacking energy: -42.998
Base-Backbone interact. energy: -0.184
local terms energy: -58.459542
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -90.746197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.746197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.746197 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -26.393
Base-Backbone interact. energy: -0.143
local terms energy: -51.735585
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -6.490
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: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -87.806405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.806405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.806405 (E_RNA)
where:
Base-Base interactions energy: -24.432
where: short stacking energy: -24.432
Base-Backbone interact. energy: -0.209
local terms energy: -63.165991
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -76.592973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.592973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.592973 (E_RNA)
where:
Base-Base interactions energy: -27.845
where: short stacking energy: -26.126
Base-Backbone interact. energy: 0.528
local terms energy: -49.275663
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: 0.031
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: 467
Temperature: 0.900000
Total energy: -242.294484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.294484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.294484 (E_RNA)
where:
Base-Base interactions energy: -171.610
where: short stacking energy: -74.240
Base-Backbone interact. energy: -0.282
local terms energy: -70.402610
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -241.656926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.656926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.656926 (E_RNA)
where:
Base-Base interactions energy: -164.388
where: short stacking energy: -73.511
Base-Backbone interact. energy: -0.184
local terms energy: -77.084249
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -239.291338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.291338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.291338 (E_RNA)
where:
Base-Base interactions energy: -169.489
where: short stacking energy: -67.169
Base-Backbone interact. energy: -0.003
local terms energy: -69.799690
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -200.567912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.567912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.567912 (E_RNA)
where:
Base-Base interactions energy: -134.540
where: short stacking energy: -57.920
Base-Backbone interact. energy: 0.256
local terms energy: -66.284013
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -210.075938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.075938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.075938 (E_RNA)
where:
Base-Base interactions energy: -133.620
where: short stacking energy: -64.128
Base-Backbone interact. energy: -1.004
local terms energy: -75.451135
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.979
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: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -181.207845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.207845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.207845 (E_RNA)
where:
Base-Base interactions energy: -104.178
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.033
local terms energy: -76.996652
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -101.824246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.824246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.824246 (E_RNA)
where:
Base-Base interactions energy: -41.356
where: short stacking energy: -30.667
Base-Backbone interact. energy: -0.163
local terms energy: -60.304873
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -93.585230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.585230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.585230 (E_RNA)
where:
Base-Base interactions energy: -41.226
where: short stacking energy: -37.496
Base-Backbone interact. energy: -0.371
local terms energy: -51.987826
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -96.224867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.224867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.224867 (E_RNA)
where:
Base-Base interactions energy: -37.331
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.082
local terms energy: -58.811871
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -7.624
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: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -97.780079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.780079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.780079 (E_RNA)
where:
Base-Base interactions energy: -27.822
where: short stacking energy: -27.029
Base-Backbone interact. energy: -0.039
local terms energy: -69.918947
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -11.050
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: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -251.082219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.082219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.082219 (E_RNA)
where:
Base-Base interactions energy: -174.897
where: short stacking energy: -60.189
Base-Backbone interact. energy: 0.798
local terms energy: -76.983500
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -241.170724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.170724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.170724 (E_RNA)
where:
Base-Base interactions energy: -172.799
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.056
local terms energy: -68.315419
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -229.332052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.332052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.332052 (E_RNA)
where:
Base-Base interactions energy: -151.913
where: short stacking energy: -63.464
Base-Backbone interact. energy: -0.382
local terms energy: -77.037330
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -11.229
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: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -215.971298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.971298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.971298 (E_RNA)
where:
Base-Base interactions energy: -146.530
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.084
local terms energy: -69.357205
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -9.958
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: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -190.712871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.712871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.712871 (E_RNA)
where:
Base-Base interactions energy: -116.774
where: short stacking energy: -54.600
Base-Backbone interact. energy: -0.922
local terms energy: -73.016473
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -162.180046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.180046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.180046 (E_RNA)
where:
Base-Base interactions energy: -93.840
where: short stacking energy: -51.683
Base-Backbone interact. energy: -0.123
local terms energy: -68.217025
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -9.812
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: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -88.844525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.844525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.844525 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.566
local terms energy: -54.810319
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -5.850
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: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -97.601193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.601193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.601193 (E_RNA)
where:
Base-Base interactions energy: -36.684
where: short stacking energy: -36.499
Base-Backbone interact. energy: -0.211
local terms energy: -60.705807
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -97.175511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.175511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.175511 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -37.511
Base-Backbone interact. energy: -0.086
local terms energy: -56.449501
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -76.211188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.211188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.211188 (E_RNA)
where:
Base-Base interactions energy: -20.249
where: short stacking energy: -18.917
Base-Backbone interact. energy: -0.367
local terms energy: -55.595228
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -247.445101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.445101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.445101 (E_RNA)
where:
Base-Base interactions energy: -171.820
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.836
local terms energy: -74.789834
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -243.745385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.745385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.745385 (E_RNA)
where:
Base-Base interactions energy: -170.794
where: short stacking energy: -58.366
Base-Backbone interact. energy: -0.184
local terms energy: -72.767935
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -240.729119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.729119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.729119 (E_RNA)
where:
Base-Base interactions energy: -158.877
where: short stacking energy: -65.083
Base-Backbone interact. energy: -1.449
local terms energy: -80.403205
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -18.874
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: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -223.736768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.736768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.736768 (E_RNA)
where:
Base-Base interactions energy: -154.456
where: short stacking energy: -63.037
Base-Backbone interact. energy: 0.179
local terms energy: -69.459737
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -197.326675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.326675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.326675 (E_RNA)
where:
Base-Base interactions energy: -121.517
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.540
local terms energy: -75.270348
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -188.230585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.230585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.230585 (E_RNA)
where:
Base-Base interactions energy: -122.451
where: short stacking energy: -50.303
Base-Backbone interact. energy: -0.048
local terms energy: -65.730777
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -98.811228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.811228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.811228 (E_RNA)
where:
Base-Base interactions energy: -33.650
where: short stacking energy: -33.650
Base-Backbone interact. energy: -0.043
local terms energy: -65.117759
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -88.403547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403547 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.082
local terms energy: -53.172881
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -4.352
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: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -100.160667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.160667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.160667 (E_RNA)
where:
Base-Base interactions energy: -40.919
where: short stacking energy: -35.882
Base-Backbone interact. energy: -0.415
local terms energy: -58.827122
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -3.183
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: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -77.524090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.524090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.524090 (E_RNA)
where:
Base-Base interactions energy: -18.306
where: short stacking energy: -14.668
Base-Backbone interact. energy: -0.478
local terms energy: -58.739576
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -254.711029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.711029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.711029 (E_RNA)
where:
Base-Base interactions energy: -174.932
where: short stacking energy: -72.324
Base-Backbone interact. energy: -0.138
local terms energy: -79.641162
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -17.925
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: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -242.987862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.987862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.987862 (E_RNA)
where:
Base-Base interactions energy: -165.129
where: short stacking energy: -67.945
Base-Backbone interact. energy: 0.057
local terms energy: -77.915754
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -230.691615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.691615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.691615 (E_RNA)
where:
Base-Base interactions energy: -165.927
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.221
local terms energy: -64.543032
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -229.220482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.220482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.220482 (E_RNA)
where:
Base-Base interactions energy: -154.061
where: short stacking energy: -66.188
Base-Backbone interact. energy: 0.936
local terms energy: -76.095125
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.321
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: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -204.495611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.495611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.495611 (E_RNA)
where:
Base-Base interactions energy: -122.098
where: short stacking energy: -61.129
Base-Backbone interact. energy: -0.459
local terms energy: -81.939333
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -187.480663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.480663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.480663 (E_RNA)
where:
Base-Base interactions energy: -116.397
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.013
local terms energy: -71.071540
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -97.319950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.319950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.319950 (E_RNA)
where:
Base-Base interactions energy: -36.632
where: short stacking energy: -35.810
Base-Backbone interact. energy: -0.113
local terms energy: -60.575659
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -96.903654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.903654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.903654 (E_RNA)
where:
Base-Base interactions energy: -39.612
where: short stacking energy: -39.612
Base-Backbone interact. energy: -0.067
local terms energy: -57.225351
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -3.027
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: 470
Temperature: 1.300000
Total energy: -95.716961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.716961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.716961 (E_RNA)
where:
Base-Base interactions energy: -37.627
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.018
local terms energy: -58.072153
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -90.004106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.004106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.004106 (E_RNA)
where:
Base-Base interactions energy: -39.113
where: short stacking energy: -39.113
Base-Backbone interact. energy: -0.298
local terms energy: -50.592850
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -254.703739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.703739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.703739 (E_RNA)
where:
Base-Base interactions energy: -172.546
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.077
local terms energy: -82.080126
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -16.876
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: 471
Temperature: 0.950000
Total energy: -218.080830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.080830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.080830 (E_RNA)
where:
Base-Base interactions energy: -146.697
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.107
local terms energy: -71.276625
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -231.708731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.708731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.708731 (E_RNA)
where:
Base-Base interactions energy: -159.061
where: short stacking energy: -51.745
Base-Backbone interact. energy: -0.795
local terms energy: -71.852461
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -227.901168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.901168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.901168 (E_RNA)
where:
Base-Base interactions energy: -155.796
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.166
local terms energy: -71.939854
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -194.589738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.589738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.589738 (E_RNA)
where:
Base-Base interactions energy: -121.796
where: short stacking energy: -59.061
Base-Backbone interact. energy: -1.011
local terms energy: -71.782260
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -178.036236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.036236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.036236 (E_RNA)
where:
Base-Base interactions energy: -102.237
where: short stacking energy: -55.152
Base-Backbone interact. energy: -0.093
local terms energy: -75.706580
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.215
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: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -100.306537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.306537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.306537 (E_RNA)
where:
Base-Base interactions energy: -40.662
where: short stacking energy: -39.248
Base-Backbone interact. energy: -0.116
local terms energy: -59.529066
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.181
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: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -91.492841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.492841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.492841 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -29.977
Base-Backbone interact. energy: -0.130
local terms energy: -58.209234
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -7.184
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: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -99.062515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.062515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.062515 (E_RNA)
where:
Base-Base interactions energy: -40.737
where: short stacking energy: -34.602
Base-Backbone interact. energy: -0.280
local terms energy: -58.045162
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -4.706
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: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -91.630450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.630450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.630450 (E_RNA)
where:
Base-Base interactions energy: -32.185
where: short stacking energy: -28.715
Base-Backbone interact. energy: -0.142
local terms energy: -59.303445
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -7.876
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: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -254.533235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.533235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.533235 (E_RNA)
where:
Base-Base interactions energy: -174.125
where: short stacking energy: -74.807
Base-Backbone interact. energy: -0.075
local terms energy: -80.332903
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -18.929
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: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -218.048283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.048283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.048283 (E_RNA)
where:
Base-Base interactions energy: -146.578
where: short stacking energy: -70.976
Base-Backbone interact. energy: -0.143
local terms energy: -71.327341
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -229.928547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.928547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.928547 (E_RNA)
where:
Base-Base interactions energy: -161.160
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.345
local terms energy: -68.423517
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -236.357652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.357652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.357652 (E_RNA)
where:
Base-Base interactions energy: -160.634
where: short stacking energy: -73.645
Base-Backbone interact. energy: -0.251
local terms energy: -75.473046
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -7.034
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: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -183.735395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.735395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.735395 (E_RNA)
where:
Base-Base interactions energy: -110.840
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.025
local terms energy: -72.869572
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -168.325940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.325940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.325940 (E_RNA)
where:
Base-Base interactions energy: -101.452
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.197
local terms energy: -66.676747
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -97.661061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.661061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.661061 (E_RNA)
where:
Base-Base interactions energy: -33.192
where: short stacking energy: -33.192
Base-Backbone interact. energy: -0.059
local terms energy: -64.410564
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -95.212302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.212302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.212302 (E_RNA)
where:
Base-Base interactions energy: -31.671
where: short stacking energy: -32.060
Base-Backbone interact. energy: -0.064
local terms energy: -63.476723
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -7.540
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: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -101.018542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.018542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.018542 (E_RNA)
where:
Base-Base interactions energy: -33.865
where: short stacking energy: -33.865
Base-Backbone interact. energy: 0.479
local terms energy: -67.632667
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -80.621293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.621293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.621293 (E_RNA)
where:
Base-Base interactions energy: -33.588
where: short stacking energy: -30.707
Base-Backbone interact. energy: -0.120
local terms energy: -46.913186
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -1.384
tors. eta vs tors. theta energy: -2.216
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: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -259.797080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.797080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.797080 (E_RNA)
where:
Base-Base interactions energy: -180.607
where: short stacking energy: -81.812
Base-Backbone interact. energy: -0.435
local terms energy: -78.755862
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -240.818312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.818312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.818312 (E_RNA)
where:
Base-Base interactions energy: -162.180
where: short stacking energy: -68.436
Base-Backbone interact. energy: -1.075
local terms energy: -77.562548
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -13.278
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: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -218.210423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.210423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.210423 (E_RNA)
where:
Base-Base interactions energy: -144.645
where: short stacking energy: -58.000
Base-Backbone interact. energy: 0.710
local terms energy: -74.275416
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -230.297637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.297637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.297637 (E_RNA)
where:
Base-Base interactions energy: -155.777
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.297
local terms energy: -74.224095
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -177.823365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.823365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.823365 (E_RNA)
where:
Base-Base interactions energy: -113.433
where: short stacking energy: -64.647
Base-Backbone interact. energy: -0.062
local terms energy: -64.328716
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -2.195
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: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -117.625787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.625787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.625787 (E_RNA)
where:
Base-Base interactions energy: -56.129
where: short stacking energy: -41.950
Base-Backbone interact. energy: -0.028
local terms energy: -61.468347
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -8.858
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: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -160.414306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.414306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.414306 (E_RNA)
where:
Base-Base interactions energy: -89.393
where: short stacking energy: -44.803
Base-Backbone interact. energy: -0.001
local terms energy: -71.020016
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -91.036048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.036048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.036048 (E_RNA)
where:
Base-Base interactions energy: -33.096
where: short stacking energy: -29.571
Base-Backbone interact. energy: -0.045
local terms energy: -57.895214
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -9.711
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: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -92.144664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144664 (E_RNA)
where:
Base-Base interactions energy: -40.909
where: short stacking energy: -23.311
Base-Backbone interact. energy: 0.529
local terms energy: -51.764536
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -92.243350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.243350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.243350 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -31.427
Base-Backbone interact. energy: -0.033
local terms energy: -57.123774
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -10.050
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: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -261.274362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.274362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.274362 (E_RNA)
where:
Base-Base interactions energy: -183.131
where: short stacking energy: -72.122
Base-Backbone interact. energy: -0.870
local terms energy: -77.272993
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -255.417356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.417356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.417356 (E_RNA)
where:
Base-Base interactions energy: -186.648
where: short stacking energy: -72.380
Base-Backbone interact. energy: -0.431
local terms energy: -68.338349
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -235.841988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.841988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.841988 (E_RNA)
where:
Base-Base interactions energy: -163.912
where: short stacking energy: -71.873
Base-Backbone interact. energy: -0.259
local terms energy: -71.671356
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -209.914364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.914364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.914364 (E_RNA)
where:
Base-Base interactions energy: -145.518
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.285
local terms energy: -64.111496
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -168.333889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.333889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.333889 (E_RNA)
where:
Base-Base interactions energy: -101.063
where: short stacking energy: -48.456
Base-Backbone interact. energy: -0.003
local terms energy: -67.267818
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -10.512
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: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -109.765103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.765103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.765103 (E_RNA)
where:
Base-Base interactions energy: -50.635
where: short stacking energy: -41.010
Base-Backbone interact. energy: 1.203
local terms energy: -60.332883
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -150.906012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.906012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.906012 (E_RNA)
where:
Base-Base interactions energy: -93.465
where: short stacking energy: -38.718
Base-Backbone interact. energy: -0.781
local terms energy: -56.660074
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -88.590967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590967 (E_RNA)
where:
Base-Base interactions energy: -40.688
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.162
local terms energy: -47.740558
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -6.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -92.061649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.061649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.061649 (E_RNA)
where:
Base-Base interactions energy: -25.227
where: short stacking energy: -24.554
Base-Backbone interact. energy: -0.150
local terms energy: -66.684871
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -99.486611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.486611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.486611 (E_RNA)
where:
Base-Base interactions energy: -35.813
where: short stacking energy: -35.813
Base-Backbone interact. energy: -0.127
local terms energy: -63.547142
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -254.441196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.441196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.441196 (E_RNA)
where:
Base-Base interactions energy: -166.751
where: short stacking energy: -70.394
Base-Backbone interact. energy: 0.005
local terms energy: -87.695807
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -17.074
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: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -240.564550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.564550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.564550 (E_RNA)
where:
Base-Base interactions energy: -167.666
where: short stacking energy: -59.051
Base-Backbone interact. energy: -1.069
local terms energy: -71.830110
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -12.530
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: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -248.076813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.076813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.076813 (E_RNA)
where:
Base-Base interactions energy: -176.563
where: short stacking energy: -54.210
Base-Backbone interact. energy: -0.104
local terms energy: -71.409863
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -213.288988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.288988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.288988 (E_RNA)
where:
Base-Base interactions energy: -152.171
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.538
local terms energy: -60.579983
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -154.105014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.105014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.105014 (E_RNA)
where:
Base-Base interactions energy: -90.959
where: short stacking energy: -44.177
Base-Backbone interact. energy: -0.003
local terms energy: -63.142456
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -163.224193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.224193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.224193 (E_RNA)
where:
Base-Base interactions energy: -104.277
where: short stacking energy: -41.972
Base-Backbone interact. energy: -0.134
local terms energy: -58.813247
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -5.102
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: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -133.737788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.737788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.737788 (E_RNA)
where:
Base-Base interactions energy: -57.005
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.075
local terms energy: -76.657826
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -96.638401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.638401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.638401 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -38.535
Base-Backbone interact. energy: -0.029
local terms energy: -58.073469
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -5.427
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: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -92.138675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.138675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.138675 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.093
local terms energy: -62.048387
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -78.687125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.687125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.687125 (E_RNA)
where:
Base-Base interactions energy: -22.291
where: short stacking energy: -22.291
Base-Backbone interact. energy: -0.335
local terms energy: -56.061208
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -255.009508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.009508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.009508 (E_RNA)
where:
Base-Base interactions energy: -174.665
where: short stacking energy: -74.597
Base-Backbone interact. energy: -0.044
local terms energy: -80.300480
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -15.073
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: 476
Temperature: 0.950000
Total energy: -253.310907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.310907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.310907 (E_RNA)
where:
Base-Base interactions energy: -176.586
where: short stacking energy: -77.268
Base-Backbone interact. energy: -0.643
local terms energy: -76.082132
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -239.458951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.458951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.458951 (E_RNA)
where:
Base-Base interactions energy: -163.540
where: short stacking energy: -69.194
Base-Backbone interact. energy: -0.195
local terms energy: -75.723798
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.415
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: 476
Temperature: 1.050000
Total energy: -232.123417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.123417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.123417 (E_RNA)
where:
Base-Base interactions energy: -161.617
where: short stacking energy: -71.106
Base-Backbone interact. energy: 0.068
local terms energy: -70.574364
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -12.627
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: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -170.045869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.045869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.045869 (E_RNA)
where:
Base-Base interactions energy: -120.050
where: short stacking energy: -41.380
Base-Backbone interact. energy: -0.647
local terms energy: -49.349134
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -7.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -168.448952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.448952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.448952 (E_RNA)
where:
Base-Base interactions energy: -95.157
where: short stacking energy: -49.338
Base-Backbone interact. energy: -0.125
local terms energy: -73.166972
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -11.653
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: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -109.431951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.431951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.431951 (E_RNA)
where:
Base-Base interactions energy: -54.079
where: short stacking energy: -35.878
Base-Backbone interact. energy: -0.098
local terms energy: -55.254741
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -94.280778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.280778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.280778 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -35.075
Base-Backbone interact. energy: -0.033
local terms energy: -59.173306
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -4.843
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: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -81.638685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.638685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.638685 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -26.215
Base-Backbone interact. energy: -0.145
local terms energy: -50.241704
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -83.057731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.057731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.057731 (E_RNA)
where:
Base-Base interactions energy: -24.550
where: short stacking energy: -17.454
Base-Backbone interact. energy: -1.277
local terms energy: -57.230237
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -249.394161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.394161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.394161 (E_RNA)
where:
Base-Base interactions energy: -179.877
where: short stacking energy: -69.902
Base-Backbone interact. energy: -0.341
local terms energy: -69.176053
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -241.399884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.399884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.399884 (E_RNA)
where:
Base-Base interactions energy: -166.193
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.247
local terms energy: -74.959117
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -19.573
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: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -240.959096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.959096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.959096 (E_RNA)
where:
Base-Base interactions energy: -164.584
where: short stacking energy: -67.420
Base-Backbone interact. energy: -0.016
local terms energy: -76.358540
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -236.207757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.207757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.207757 (E_RNA)
where:
Base-Base interactions energy: -164.619
where: short stacking energy: -67.088
Base-Backbone interact. energy: -0.459
local terms energy: -71.129831
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -158.104849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.104849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.104849 (E_RNA)
where:
Base-Base interactions energy: -98.974
where: short stacking energy: -54.456
Base-Backbone interact. energy: -0.572
local terms energy: -58.558397
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -13.503
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: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -162.744484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.744484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.744484 (E_RNA)
where:
Base-Base interactions energy: -96.445
where: short stacking energy: -52.899
Base-Backbone interact. energy: -1.017
local terms energy: -65.282380
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -102.937551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.937551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.937551 (E_RNA)
where:
Base-Base interactions energy: -42.010
where: short stacking energy: -39.599
Base-Backbone interact. energy: -0.422
local terms energy: -60.505534
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.424
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: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -96.240499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.240499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.240499 (E_RNA)
where:
Base-Base interactions energy: -46.786
where: short stacking energy: -23.181
Base-Backbone interact. energy: 0.869
local terms energy: -50.323429
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: 3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -112.811303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.811303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.811303 (E_RNA)
where:
Base-Base interactions energy: -57.086
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.148
local terms energy: -55.577425
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -4.976
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -87.640376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.640376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.640376 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -31.089
Base-Backbone interact. energy: -0.310
local terms energy: -54.242677
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: 2.341
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: 1, replica: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -255.504813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.504813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.504813 (E_RNA)
where:
Base-Base interactions energy: -171.032
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.304
local terms energy: -84.168390
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -243.097139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.097139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.097139 (E_RNA)
where:
Base-Base interactions energy: -169.375
where: short stacking energy: -68.291
Base-Backbone interact. energy: 0.056
local terms energy: -73.778979
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -237.098209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.098209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.098209 (E_RNA)
where:
Base-Base interactions energy: -168.317
where: short stacking energy: -55.194
Base-Backbone interact. energy: -1.493
local terms energy: -67.287911
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.136
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: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -240.058921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.058921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.058921 (E_RNA)
where:
Base-Base interactions energy: -158.050
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.274
local terms energy: -81.735294
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -206.449285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.449285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.449285 (E_RNA)
where:
Base-Base interactions energy: -130.687
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.265
local terms energy: -75.497069
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -6.457
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: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -193.049832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.049832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.049832 (E_RNA)
where:
Base-Base interactions energy: -112.427
where: short stacking energy: -61.410
Base-Backbone interact. energy: -1.251
local terms energy: -79.372598
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -93.462860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.462860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.462860 (E_RNA)
where:
Base-Base interactions energy: -39.755
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.146
local terms energy: -53.561950
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -92.195699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.195699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.195699 (E_RNA)
where:
Base-Base interactions energy: -43.503
where: short stacking energy: -32.516
Base-Backbone interact. energy: -0.251
local terms energy: -48.441928
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: 2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -87.946367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.946367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.946367 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -28.718
Base-Backbone interact. energy: -0.166
local terms energy: -52.928828
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -0.865
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: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -86.008988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.008988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.008988 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -31.667
Base-Backbone interact. energy: -0.099
local terms energy: -49.250016
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -272.808038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.808038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.808038 (E_RNA)
where:
Base-Base interactions energy: -197.921
where: short stacking energy: -69.751
Base-Backbone interact. energy: -1.172
local terms energy: -73.714967
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -14.248
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: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -250.409793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.409793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.409793 (E_RNA)
where:
Base-Base interactions energy: -171.077
where: short stacking energy: -64.080
Base-Backbone interact. energy: -0.222
local terms energy: -79.111653
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -17.694
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: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -231.880999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.880999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.880999 (E_RNA)
where:
Base-Base interactions energy: -154.803
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.025
local terms energy: -77.052301
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -234.050387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.050387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.050387 (E_RNA)
where:
Base-Base interactions energy: -155.586
where: short stacking energy: -58.483
Base-Backbone interact. energy: -0.226
local terms energy: -78.238879
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -229.141619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.141619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.141619 (E_RNA)
where:
Base-Base interactions energy: -153.321
where: short stacking energy: -71.684
Base-Backbone interact. energy: -1.496
local terms energy: -74.324867
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -162.757144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.757144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.757144 (E_RNA)
where:
Base-Base interactions energy: -97.671
where: short stacking energy: -46.233
Base-Backbone interact. energy: -0.035
local terms energy: -65.050335
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -103.576361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.576361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.576361 (E_RNA)
where:
Base-Base interactions energy: -45.214
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.203
local terms energy: -58.159273
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -88.386517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.386517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.386517 (E_RNA)
where:
Base-Base interactions energy: -25.461
where: short stacking energy: -25.461
Base-Backbone interact. energy: -0.040
local terms energy: -62.884956
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -93.863210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.863210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.863210 (E_RNA)
where:
Base-Base interactions energy: -40.975
where: short stacking energy: -27.654
Base-Backbone interact. energy: -0.292
local terms energy: -52.596070
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -6.543
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: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -86.798999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798999 (E_RNA)
where:
Base-Base interactions energy: -32.757
where: short stacking energy: -32.116
Base-Backbone interact. energy: -0.108
local terms energy: -53.933539
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -6.161
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: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -245.601096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.601096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.601096 (E_RNA)
where:
Base-Base interactions energy: -165.155
where: short stacking energy: -69.571
Base-Backbone interact. energy: -1.043
local terms energy: -79.402841
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -254.662672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.662672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.662672 (E_RNA)
where:
Base-Base interactions energy: -177.554
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.494
local terms energy: -76.614516
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -245.189995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.189995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.189995 (E_RNA)
where:
Base-Base interactions energy: -164.069
where: short stacking energy: -68.739
Base-Backbone interact. energy: -0.542
local terms energy: -80.579199
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -18.800
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: 4, replica: 1
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -231.635573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.635573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.635573 (E_RNA)
where:
Base-Base interactions energy: -152.136
where: short stacking energy: -69.309
Base-Backbone interact. energy: -0.065
local terms energy: -79.434196
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -228.635555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.635555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.635555 (E_RNA)
where:
Base-Base interactions energy: -155.541
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.165
local terms energy: -72.929511
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -16.805
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: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -159.504235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.504235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.504235 (E_RNA)
where:
Base-Base interactions energy: -98.347
where: short stacking energy: -33.515
Base-Backbone interact. energy: 1.216
local terms energy: -62.372989
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -102.633488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.633488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.633488 (E_RNA)
where:
Base-Base interactions energy: -42.832
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.036
local terms energy: -59.766293
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -96.781601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.781601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.781601 (E_RNA)
where:
Base-Base interactions energy: -35.556
where: short stacking energy: -29.679
Base-Backbone interact. energy: -0.228
local terms energy: -60.997312
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.931
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: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -87.599462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.599462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.599462 (E_RNA)
where:
Base-Base interactions energy: -40.750
where: short stacking energy: -28.912
Base-Backbone interact. energy: -0.774
local terms energy: -46.075081
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -8.353
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: 480
Temperature: 1.350000
Total energy: -87.229043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229043 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -17.681
Base-Backbone interact. energy: 1.943
local terms energy: -55.739534
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -246.033009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.033009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.033009 (E_RNA)
where:
Base-Base interactions energy: -171.888
where: short stacking energy: -66.908
Base-Backbone interact. energy: -1.005
local terms energy: -73.140712
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -236.970122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.970122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.970122 (E_RNA)
where:
Base-Base interactions energy: -157.269
where: short stacking energy: -78.202
Base-Backbone interact. energy: -0.177
local terms energy: -79.523664
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -12.667
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: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -242.101636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.101636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.101636 (E_RNA)
where:
Base-Base interactions energy: -174.246
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.694
local terms energy: -67.162191
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -232.883377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.883377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.883377 (E_RNA)
where:
Base-Base interactions energy: -158.083
where: short stacking energy: -75.811
Base-Backbone interact. energy: -0.120
local terms energy: -74.680952
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -220.240809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.240809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.240809 (E_RNA)
where:
Base-Base interactions energy: -153.757
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.382
local terms energy: -66.101157
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -12.967
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: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -106.183122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.183122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.183122 (E_RNA)
where:
Base-Base interactions energy: -49.770
where: short stacking energy: -36.160
Base-Backbone interact. energy: -0.127
local terms energy: -56.286147
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -161.795687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.795687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.795687 (E_RNA)
where:
Base-Base interactions energy: -92.404
where: short stacking energy: -52.744
Base-Backbone interact. energy: -0.217
local terms energy: -69.174208
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -7.001
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: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -93.469393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.469393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.469393 (E_RNA)
where:
Base-Base interactions energy: -31.608
where: short stacking energy: -31.608
Base-Backbone interact. energy: -0.092
local terms energy: -61.770042
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -10.829
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: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -83.936615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.936615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.936615 (E_RNA)
where:
Base-Base interactions energy: -23.647
where: short stacking energy: -22.464
Base-Backbone interact. energy: 0.311
local terms energy: -60.600041
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -82.784189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.784189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.784189 (E_RNA)
where:
Base-Base interactions energy: -22.575
where: short stacking energy: -22.575
Base-Backbone interact. energy: -0.243
local terms energy: -59.966015
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -11.805
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: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -259.649348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.649348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.649348 (E_RNA)
where:
Base-Base interactions energy: -178.352
where: short stacking energy: -66.489
Base-Backbone interact. energy: -0.566
local terms energy: -80.731388
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -239.781910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.781910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.781910 (E_RNA)
where:
Base-Base interactions energy: -167.282
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.151
local terms energy: -72.348626
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -16.578
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: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -239.539488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.539488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.539488 (E_RNA)
where:
Base-Base interactions energy: -166.296
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.195
local terms energy: -73.048543
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -225.509676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.509676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.509676 (E_RNA)
where:
Base-Base interactions energy: -149.141
where: short stacking energy: -67.600
Base-Backbone interact. energy: -0.444
local terms energy: -75.924793
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -14.784
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: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -218.185669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.185669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.185669 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.728
local terms energy: -76.792718
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -103.656021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.656021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.656021 (E_RNA)
where:
Base-Base interactions energy: -43.938
where: short stacking energy: -39.015
Base-Backbone interact. energy: 1.544
local terms energy: -61.262288
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -132.275700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.275700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.275700 (E_RNA)
where:
Base-Base interactions energy: -77.875
where: short stacking energy: -42.074
Base-Backbone interact. energy: 4.116
local terms energy: -58.516656
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -93.490073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.490073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.490073 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -33.736
Base-Backbone interact. energy: -0.179
local terms energy: -59.361398
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -6.110
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: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -96.489639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.489639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.489639 (E_RNA)
where:
Base-Base interactions energy: -37.190
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.099
local terms energy: -59.200661
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -81.142998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.142998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.142998 (E_RNA)
where:
Base-Base interactions energy: -34.074
where: short stacking energy: -25.838
Base-Backbone interact. energy: -0.555
local terms energy: -46.514793
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -2.774
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -260.275144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.275144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.275144 (E_RNA)
where:
Base-Base interactions energy: -179.968
where: short stacking energy: -78.037
Base-Backbone interact. energy: -0.715
local terms energy: -79.591593
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -13.705
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: 2, replica: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -250.519385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.519385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.519385 (E_RNA)
where:
Base-Base interactions energy: -179.199
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.304
local terms energy: -71.016737
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -14.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -235.528692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.528692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.528692 (E_RNA)
where:
Base-Base interactions energy: -156.069
where: short stacking energy: -69.120
Base-Backbone interact. energy: -0.271
local terms energy: -79.188479
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -224.807672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.807672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.807672 (E_RNA)
where:
Base-Base interactions energy: -156.463
where: short stacking energy: -71.429
Base-Backbone interact. energy: 3.112
local terms energy: -71.456418
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -230.860324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.860324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.860324 (E_RNA)
where:
Base-Base interactions energy: -159.710
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.407
local terms energy: -70.743316
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -107.051155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.051155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.051155 (E_RNA)
where:
Base-Base interactions energy: -58.083
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.186
local terms energy: -48.782665
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -106.965095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.965095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.965095 (E_RNA)
where:
Base-Base interactions energy: -51.004
where: short stacking energy: -36.712
Base-Backbone interact. energy: 0.032
local terms energy: -55.992235
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -97.490810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.490810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.490810 (E_RNA)
where:
Base-Base interactions energy: -39.483
where: short stacking energy: -20.686
Base-Backbone interact. energy: -0.141
local terms energy: -57.866147
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -11.206
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: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -89.800018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.800018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.800018 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -32.070
Base-Backbone interact. energy: -0.060
local terms energy: -54.663959
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -10.148
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: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -77.570658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.570658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.570658 (E_RNA)
where:
Base-Base interactions energy: -22.111
where: short stacking energy: -22.111
Base-Backbone interact. energy: -0.819
local terms energy: -54.640846
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -255.477135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.477135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.477135 (E_RNA)
where:
Base-Base interactions energy: -172.027
where: short stacking energy: -74.609
Base-Backbone interact. energy: -0.076
local terms energy: -83.374253
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -247.835060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.835060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.835060 (E_RNA)
where:
Base-Base interactions energy: -171.167
where: short stacking energy: -63.824
Base-Backbone interact. energy: -0.100
local terms energy: -76.567629
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -248.916321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.916321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.916321 (E_RNA)
where:
Base-Base interactions energy: -177.733
where: short stacking energy: -77.978
Base-Backbone interact. energy: -0.498
local terms energy: -70.684378
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -14.393
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: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -225.931646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.931646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.931646 (E_RNA)
where:
Base-Base interactions energy: -145.761
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.683
local terms energy: -79.487144
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -16.838
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: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -215.191891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.191891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.191891 (E_RNA)
where:
Base-Base interactions energy: -137.440
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.073
local terms energy: -77.679051
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -134.722452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.722452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.722452 (E_RNA)
where:
Base-Base interactions energy: -76.089
where: short stacking energy: -26.025
Base-Backbone interact. energy: -0.617
local terms energy: -58.016740
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -102.657222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.657222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.657222 (E_RNA)
where:
Base-Base interactions energy: -50.396
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.395
local terms energy: -51.865770
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: 3.458
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: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -100.223355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.223355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.223355 (E_RNA)
where:
Base-Base interactions energy: -45.391
where: short stacking energy: -31.150
Base-Backbone interact. energy: 0.486
local terms energy: -55.318316
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -79.387984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.387984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.387984 (E_RNA)
where:
Base-Base interactions energy: -29.835
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.220
local terms energy: -49.333369
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -0.404
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -79.696524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.696524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.696524 (E_RNA)
where:
Base-Base interactions energy: -31.257
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.180
local terms energy: -48.259779
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -8.457
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -1.614
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: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -254.589683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.589683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.589683 (E_RNA)
where:
Base-Base interactions energy: -183.013
where: short stacking energy: -66.218
Base-Backbone interact. energy: 0.908
local terms energy: -72.484459
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -7.925
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: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -244.417369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.417369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.417369 (E_RNA)
where:
Base-Base interactions energy: -167.489
where: short stacking energy: -70.747
Base-Backbone interact. energy: 0.326
local terms energy: -77.254259
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -223.721445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.721445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.721445 (E_RNA)
where:
Base-Base interactions energy: -156.711
where: short stacking energy: -69.941
Base-Backbone interact. energy: 0.532
local terms energy: -67.543054
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -8.976
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: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -221.539542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.539542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.539542 (E_RNA)
where:
Base-Base interactions energy: -145.159
where: short stacking energy: -67.309
Base-Backbone interact. energy: -0.226
local terms energy: -76.154355
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -220.607704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.607704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607704 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -69.487
Base-Backbone interact. energy: -1.258
local terms energy: -69.574131
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -8.732
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: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -136.785323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.785323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.785323 (E_RNA)
where:
Base-Base interactions energy: -77.391
where: short stacking energy: -35.641
Base-Backbone interact. energy: -0.666
local terms energy: -58.728965
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -3.941
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: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -91.247158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.247158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.247158 (E_RNA)
where:
Base-Base interactions energy: -47.280
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.308
local terms energy: -43.659461
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -90.915346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.915346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.915346 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -40.698
Base-Backbone interact. energy: -0.301
local terms energy: -49.217489
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -88.424312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.424312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.424312 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.237
local terms energy: -54.316643
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -86.849076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.849076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.849076 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -20.337
Base-Backbone interact. energy: 1.430
local terms energy: -46.245869
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: 2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -253.520012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.520012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.520012 (E_RNA)
where:
Base-Base interactions energy: -170.461
where: short stacking energy: -71.036
Base-Backbone interact. energy: 0.636
local terms energy: -83.695156
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -18.355
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: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -243.311813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.311813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.311813 (E_RNA)
where:
Base-Base interactions energy: -166.936
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.567
local terms energy: -75.808863
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -224.689765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.689765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.689765 (E_RNA)
where:
Base-Base interactions energy: -149.916
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.859
local terms energy: -73.915214
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.406
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: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -228.624033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.624033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.624033 (E_RNA)
where:
Base-Base interactions energy: -160.123
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.112
local terms energy: -68.389427
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -222.173113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.173113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.173113 (E_RNA)
where:
Base-Base interactions energy: -157.592
where: short stacking energy: -65.086
Base-Backbone interact. energy: -0.317
local terms energy: -64.264456
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -10.592
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: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -123.383433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.383433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.383433 (E_RNA)
where:
Base-Base interactions energy: -70.161
where: short stacking energy: -32.037
Base-Backbone interact. energy: -0.146
local terms energy: -53.076426
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -105.844222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.844222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.844222 (E_RNA)
where:
Base-Base interactions energy: -46.773
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.786
local terms energy: -58.284613
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -11.948
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: 486
Temperature: 1.250000
Total energy: -104.965927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.965927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.965927 (E_RNA)
where:
Base-Base interactions energy: -42.261
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.187
local terms energy: -62.517738
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -3.520
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: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -84.745274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.745274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.745274 (E_RNA)
where:
Base-Base interactions energy: -39.544
where: short stacking energy: -9.337
Base-Backbone interact. energy: -1.179
local terms energy: -44.022992
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -103.735720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.735720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.735720 (E_RNA)
where:
Base-Base interactions energy: -53.548
where: short stacking energy: -36.885
Base-Backbone interact. energy: 0.692
local terms energy: -50.879879
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -4.106
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: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -250.533175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.533175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.533175 (E_RNA)
where:
Base-Base interactions energy: -173.686
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.248
local terms energy: -76.598991
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -237.648716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.648716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.648716 (E_RNA)
where:
Base-Base interactions energy: -165.546
where: short stacking energy: -76.625
Base-Backbone interact. energy: 0.467
local terms energy: -72.569497
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -234.750468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.750468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.750468 (E_RNA)
where:
Base-Base interactions energy: -159.189
where: short stacking energy: -52.607
Base-Backbone interact. energy: -1.015
local terms energy: -74.546716
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -226.374247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.374247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.374247 (E_RNA)
where:
Base-Base interactions energy: -153.460
where: short stacking energy: -62.468
Base-Backbone interact. energy: -0.342
local terms energy: -72.572469
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -15.050
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: 487
Temperature: 1.100000
Total energy: -231.900666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.900666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.900666 (E_RNA)
where:
Base-Base interactions energy: -156.377
where: short stacking energy: -74.196
Base-Backbone interact. energy: -0.616
local terms energy: -74.908079
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -11.627
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: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -106.019742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.019742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.019742 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -37.667
Base-Backbone interact. energy: -0.370
local terms energy: -64.978088
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -120.509628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.509628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.509628 (E_RNA)
where:
Base-Base interactions energy: -79.261
where: short stacking energy: -32.402
Base-Backbone interact. energy: -0.384
local terms energy: -40.863948
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -8.525
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: 1.107
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -99.587410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.587410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.587410 (E_RNA)
where:
Base-Base interactions energy: -38.893
where: short stacking energy: -31.206
Base-Backbone interact. energy: -0.016
local terms energy: -60.678432
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -85.943660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.943660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.943660 (E_RNA)
where:
Base-Base interactions energy: -22.091
where: short stacking energy: -22.091
Base-Backbone interact. energy: -0.275
local terms energy: -63.577465
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -2.154
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: 487
Temperature: 1.350000
Total energy: -82.070900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070900 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -30.447
Base-Backbone interact. energy: 0.537
local terms energy: -49.843992
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -255.807222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.807222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.807222 (E_RNA)
where:
Base-Base interactions energy: -182.514
where: short stacking energy: -78.360
Base-Backbone interact. energy: 1.885
local terms energy: -75.178430
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.240
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: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -250.500284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.500284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.500284 (E_RNA)
where:
Base-Base interactions energy: -174.252
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.258
local terms energy: -75.990750
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -242.071891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.071891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.071891 (E_RNA)
where:
Base-Base interactions energy: -164.752
where: short stacking energy: -64.136
Base-Backbone interact. energy: -0.347
local terms energy: -76.973011
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -12.232
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: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -231.709228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.709228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.709228 (E_RNA)
where:
Base-Base interactions energy: -170.214
where: short stacking energy: -69.906
Base-Backbone interact. energy: -0.092
local terms energy: -61.403916
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -229.125230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.125230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.125230 (E_RNA)
where:
Base-Base interactions energy: -153.920
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.149
local terms energy: -75.056932
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -14.746
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: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -96.643101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.643101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.643101 (E_RNA)
where:
Base-Base interactions energy: -38.913
where: short stacking energy: -35.068
Base-Backbone interact. energy: 0.928
local terms energy: -58.657849
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -95.106509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.106509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.106509 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -34.146
Base-Backbone interact. energy: -0.007
local terms energy: -62.202100
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -101.931854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.931854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.931854 (E_RNA)
where:
Base-Base interactions energy: -39.322
where: short stacking energy: -38.363
Base-Backbone interact. energy: -0.002
local terms energy: -62.607708
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -83.936418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.936418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.936418 (E_RNA)
where:
Base-Base interactions energy: -31.544
where: short stacking energy: -23.768
Base-Backbone interact. energy: -0.923
local terms energy: -51.469384
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -7.850
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -88.508013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.508013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.508013 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.573
local terms energy: -53.915735
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -248.771291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.771291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.771291 (E_RNA)
where:
Base-Base interactions energy: -174.275
where: short stacking energy: -73.962
Base-Backbone interact. energy: -0.169
local terms energy: -74.327157
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -249.574592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.574592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.574592 (E_RNA)
where:
Base-Base interactions energy: -171.907
where: short stacking energy: -65.026
Base-Backbone interact. energy: -0.334
local terms energy: -77.333204
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -15.130
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: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -244.959860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.959860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.959860 (E_RNA)
where:
Base-Base interactions energy: -167.824
where: short stacking energy: -71.844
Base-Backbone interact. energy: 0.397
local terms energy: -77.533392
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -20.567
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: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -229.946858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.946858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.946858 (E_RNA)
where:
Base-Base interactions energy: -156.108
where: short stacking energy: -77.513
Base-Backbone interact. energy: -0.274
local terms energy: -73.565116
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -222.852445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.852445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.852445 (E_RNA)
where:
Base-Base interactions energy: -153.402
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.143
local terms energy: -69.307842
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.244
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: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -100.550638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.550638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.550638 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -36.218
Base-Backbone interact. energy: -0.131
local terms energy: -63.450226
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -98.973103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973103 (E_RNA)
where:
Base-Base interactions energy: -45.799
where: short stacking energy: -44.863
Base-Backbone interact. energy: -0.102
local terms energy: -53.072025
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -1.028
tors. eta vs tors. theta energy: -9.843
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: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -101.184636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.184636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.184636 (E_RNA)
where:
Base-Base interactions energy: -40.776
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.333
local terms energy: -60.076398
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -85.078343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.078343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.078343 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -33.837
Base-Backbone interact. energy: -0.441
local terms energy: -50.800141
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -93.055180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.055180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.055180 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -25.477
Base-Backbone interact. energy: -0.267
local terms energy: -53.963910
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: 0.876
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: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -255.635906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.635906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.635906 (E_RNA)
where:
Base-Base interactions energy: -178.350
where: short stacking energy: -77.546
Base-Backbone interact. energy: -0.064
local terms energy: -77.221379
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -232.564970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.564970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.564970 (E_RNA)
where:
Base-Base interactions energy: -159.739
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.399
local terms energy: -72.426508
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -238.718251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.718251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.718251 (E_RNA)
where:
Base-Base interactions energy: -158.649
where: short stacking energy: -64.878
Base-Backbone interact. energy: -0.663
local terms energy: -79.406449
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -19.598
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: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -233.258368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.258368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.258368 (E_RNA)
where:
Base-Base interactions energy: -152.982
where: short stacking energy: -67.698
Base-Backbone interact. energy: -0.341
local terms energy: -79.936057
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -217.857408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.857408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.857408 (E_RNA)
where:
Base-Base interactions energy: -151.624
where: short stacking energy: -67.096
Base-Backbone interact. energy: 1.471
local terms energy: -67.704702
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -107.009675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.009675 (E_RNA)
where:
Base-Base interactions energy: -50.453
where: short stacking energy: -45.213
Base-Backbone interact. energy: -0.203
local terms energy: -56.353726
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -107.522803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.522803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.522803 (E_RNA)
where:
Base-Base interactions energy: -46.961
where: short stacking energy: -43.377
Base-Backbone interact. energy: -0.497
local terms energy: -60.064370
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -98.589706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.589706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.589706 (E_RNA)
where:
Base-Base interactions energy: -49.639
where: short stacking energy: -33.767
Base-Backbone interact. energy: -0.872
local terms energy: -48.078293
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: 0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -88.964330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964330 (E_RNA)
where:
Base-Base interactions energy: -30.780
where: short stacking energy: -26.361
Base-Backbone interact. energy: -0.078
local terms energy: -58.106355
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -88.462159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.462159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.462159 (E_RNA)
where:
Base-Base interactions energy: -33.336
where: short stacking energy: -33.336
Base-Backbone interact. energy: -0.072
local terms energy: -55.053893
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -251.008515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.008515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.008515 (E_RNA)
where:
Base-Base interactions energy: -177.109
where: short stacking energy: -75.737
Base-Backbone interact. energy: -0.217
local terms energy: -73.682578
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -232.726165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.726165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.726165 (E_RNA)
where:
Base-Base interactions energy: -156.160
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.303
local terms energy: -76.263847
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -232.068375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.068375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.068375 (E_RNA)
where:
Base-Base interactions energy: -160.634
where: short stacking energy: -76.160
Base-Backbone interact. energy: -0.312
local terms energy: -71.123079
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -17.883
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: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -230.557301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.557301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.557301 (E_RNA)
where:
Base-Base interactions energy: -152.860
where: short stacking energy: -71.726
Base-Backbone interact. energy: 0.430
local terms energy: -78.127118
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -232.202855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.202855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.202855 (E_RNA)
where:
Base-Base interactions energy: -151.223
where: short stacking energy: -68.164
Base-Backbone interact. energy: 0.572
local terms energy: -81.551227
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.416
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: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -109.383629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.383629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.383629 (E_RNA)
where:
Base-Base interactions energy: -54.732
where: short stacking energy: -29.746
Base-Backbone interact. energy: -0.396
local terms energy: -54.255041
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -99.609826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.609826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.609826 (E_RNA)
where:
Base-Base interactions energy: -49.921
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.184
local terms energy: -49.503931
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -3.407
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: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -94.083512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.083512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.083512 (E_RNA)
where:
Base-Base interactions energy: -42.646
where: short stacking energy: -31.526
Base-Backbone interact. energy: -0.326
local terms energy: -51.111784
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -5.684
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: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -87.335875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.335875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.335875 (E_RNA)
where:
Base-Base interactions energy: -27.867
where: short stacking energy: -24.477
Base-Backbone interact. energy: -0.023
local terms energy: -59.445862
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -77.870345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.870345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.870345 (E_RNA)
where:
Base-Base interactions energy: -29.069
where: short stacking energy: -23.406
Base-Backbone interact. energy: -0.116
local terms energy: -48.685790
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -7.133
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: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -264.955689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.955689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.955689 (E_RNA)
where:
Base-Base interactions energy: -182.398
where: short stacking energy: -80.560
Base-Backbone interact. energy: -0.216
local terms energy: -82.341435
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -12.221
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: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -243.738531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.738531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.738531 (E_RNA)
where:
Base-Base interactions energy: -159.789
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.100
local terms energy: -83.850373
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -242.815060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.815060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.815060 (E_RNA)
where:
Base-Base interactions energy: -161.596
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.514
local terms energy: -80.704875
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -231.580227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.580227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.580227 (E_RNA)
where:
Base-Base interactions energy: -157.543
where: short stacking energy: -73.009
Base-Backbone interact. energy: -1.648
local terms energy: -72.388755
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.735
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: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -227.392083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.392083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.392083 (E_RNA)
where:
Base-Base interactions energy: -152.332
where: short stacking energy: -71.119
Base-Backbone interact. energy: -0.400
local terms energy: -74.659339
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -113.579854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.579854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.579854 (E_RNA)
where:
Base-Base interactions energy: -48.301
where: short stacking energy: -47.911
Base-Backbone interact. energy: -0.146
local terms energy: -65.132394
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -100.926381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.926381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.926381 (E_RNA)
where:
Base-Base interactions energy: -39.664
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.128
local terms energy: -61.134796
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -81.796695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.796695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.796695 (E_RNA)
where:
Base-Base interactions energy: -24.909
where: short stacking energy: -20.237
Base-Backbone interact. energy: -0.197
local terms energy: -56.690088
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -87.622330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.622330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.622330 (E_RNA)
where:
Base-Base interactions energy: -29.610
where: short stacking energy: -28.025
Base-Backbone interact. energy: -0.245
local terms energy: -57.767777
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -88.292800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292800 (E_RNA)
where:
Base-Base interactions energy: -38.314
where: short stacking energy: -18.272
Base-Backbone interact. energy: 1.116
local terms energy: -51.095290
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -8.802
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: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -255.180898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.180898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.180898 (E_RNA)
where:
Base-Base interactions energy: -182.564
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.253
local terms energy: -72.363916
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -7.471
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: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -244.450702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.450702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.450702 (E_RNA)
where:
Base-Base interactions energy: -156.766
where: short stacking energy: -76.022
Base-Backbone interact. energy: -0.278
local terms energy: -87.406841
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -10.835
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: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -231.854116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.854116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.854116 (E_RNA)
where:
Base-Base interactions energy: -152.645
where: short stacking energy: -69.020
Base-Backbone interact. energy: -1.606
local terms energy: -77.603658
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -223.442589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.442589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.442589 (E_RNA)
where:
Base-Base interactions energy: -150.261
where: short stacking energy: -70.748
Base-Backbone interact. energy: -0.302
local terms energy: -72.879582
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -11.489
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: 5, replica: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -228.431706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.431706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.431706 (E_RNA)
where:
Base-Base interactions energy: -151.636
where: short stacking energy: -70.147
Base-Backbone interact. energy: 0.001
local terms energy: -76.796070
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -108.863142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.863142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.863142 (E_RNA)
where:
Base-Base interactions energy: -48.435
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.225
local terms energy: -60.202522
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -12.068
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: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -97.151045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.151045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.151045 (E_RNA)
where:
Base-Base interactions energy: -45.646
where: short stacking energy: -44.090
Base-Backbone interact. energy: -0.867
local terms energy: -50.637970
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -85.531416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.531416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.531416 (E_RNA)
where:
Base-Base interactions energy: -36.605
where: short stacking energy: -23.272
Base-Backbone interact. energy: 0.258
local terms energy: -49.184219
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -9.230
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: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -101.230357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.230357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.230357 (E_RNA)
where:
Base-Base interactions energy: -41.395
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.197
local terms energy: -59.638435
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: 0.100
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: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -89.171837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.171837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.171837 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -34.711
Base-Backbone interact. energy: 1.383
local terms energy: -48.843772
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -5.007
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -6.475
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: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -260.021526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.021526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.021526 (E_RNA)
where:
Base-Base interactions energy: -180.416
where: short stacking energy: -71.048
Base-Backbone interact. energy: -0.179
local terms energy: -79.426393
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -245.917729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.917729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.917729 (E_RNA)
where:
Base-Base interactions energy: -161.734
where: short stacking energy: -72.148
Base-Backbone interact. energy: 0.009
local terms energy: -84.192824
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -231.716347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.716347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.716347 (E_RNA)
where:
Base-Base interactions energy: -156.011
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.275
local terms energy: -75.430838
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -229.789243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.789243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.789243 (E_RNA)
where:
Base-Base interactions energy: -154.378
where: short stacking energy: -68.889
Base-Backbone interact. energy: 0.062
local terms energy: -75.473746
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -10.918
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: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -220.213059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.213059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.213059 (E_RNA)
where:
Base-Base interactions energy: -150.716
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.226
local terms energy: -69.270824
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -115.918265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.918265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.918265 (E_RNA)
where:
Base-Base interactions energy: -49.446
where: short stacking energy: -46.642
Base-Backbone interact. energy: -0.007
local terms energy: -66.464498
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -101.017981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.017981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.017981 (E_RNA)
where:
Base-Base interactions energy: -38.129
where: short stacking energy: -38.129
Base-Backbone interact. energy: -0.112
local terms energy: -62.776644
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -9.857
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: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -93.970121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.970121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.970121 (E_RNA)
where:
Base-Base interactions energy: -31.927
where: short stacking energy: -28.662
Base-Backbone interact. energy: -0.019
local terms energy: -62.023544
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.057
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: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -91.208345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.208345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.208345 (E_RNA)
where:
Base-Base interactions energy: -38.483
where: short stacking energy: -24.277
Base-Backbone interact. energy: -0.216
local terms energy: -52.509561
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -1.931
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: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -76.731918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.731918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.731918 (E_RNA)
where:
Base-Base interactions energy: -28.038
where: short stacking energy: -28.038
Base-Backbone interact. energy: -0.306
local terms energy: -48.387786
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -0.760
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: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -253.621468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.621468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.621468 (E_RNA)
where:
Base-Base interactions energy: -173.237
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.342
local terms energy: -80.042839
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -239.183479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.183479 (E_RNA)
where:
Base-Base interactions energy: -156.114
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.315
local terms energy: -82.754186
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -236.896698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.896698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.896698 (E_RNA)
where:
Base-Base interactions energy: -162.687
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.087
local terms energy: -74.122861
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -227.582527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.582527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.582527 (E_RNA)
where:
Base-Base interactions energy: -142.702
where: short stacking energy: -59.540
Base-Backbone interact. energy: 0.735
local terms energy: -85.615839
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -11.077
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: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -218.121696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.121696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.121696 (E_RNA)
where:
Base-Base interactions energy: -146.048
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.462
local terms energy: -71.611720
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -13.535
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: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -93.468854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.468854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.468854 (E_RNA)
where:
Base-Base interactions energy: -37.858
where: short stacking energy: -32.881
Base-Backbone interact. energy: -0.128
local terms energy: -55.482430
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -111.782441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.782441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.782441 (E_RNA)
where:
Base-Base interactions energy: -48.008
where: short stacking energy: -48.008
Base-Backbone interact. energy: -0.049
local terms energy: -63.724656
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -10.933
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: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -84.273045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.273045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.273045 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.976
local terms energy: -51.905526
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -89.953798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.953798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.953798 (E_RNA)
where:
Base-Base interactions energy: -31.084
where: short stacking energy: -28.633
Base-Backbone interact. energy: -0.203
local terms energy: -58.667246
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -83.310636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.310636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.310636 (E_RNA)
where:
Base-Base interactions energy: -29.866
where: short stacking energy: -29.866
Base-Backbone interact. energy: -0.003
local terms energy: -53.441405
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -263.490139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.490139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.490139 (E_RNA)
where:
Base-Base interactions energy: -178.475
where: short stacking energy: -76.283
Base-Backbone interact. energy: -0.255
local terms energy: -84.760281
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -242.421274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.421274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.421274 (E_RNA)
where:
Base-Base interactions energy: -163.051
where: short stacking energy: -77.168
Base-Backbone interact. energy: -0.342
local terms energy: -79.028753
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -23.778
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: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -227.727841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.727841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.727841 (E_RNA)
where:
Base-Base interactions energy: -154.229
where: short stacking energy: -68.558
Base-Backbone interact. energy: -0.345
local terms energy: -73.154045
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -229.442447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.442447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.442447 (E_RNA)
where:
Base-Base interactions energy: -157.923
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.051
local terms energy: -71.468443
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -221.251789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.251789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.251789 (E_RNA)
where:
Base-Base interactions energy: -154.109
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.419
local terms energy: -66.724145
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -90.449617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.449617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.449617 (E_RNA)
where:
Base-Base interactions energy: -32.348
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.183
local terms energy: -57.918116
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -96.252302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.252302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.252302 (E_RNA)
where:
Base-Base interactions energy: -38.525
where: short stacking energy: -37.781
Base-Backbone interact. energy: -0.084
local terms energy: -57.642981
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -98.029472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.029472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.029472 (E_RNA)
where:
Base-Base interactions energy: -39.832
where: short stacking energy: -40.132
Base-Backbone interact. energy: 0.256
local terms energy: -58.453335
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -87.442447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.442447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.442447 (E_RNA)
where:
Base-Base interactions energy: -32.413
where: short stacking energy: -26.096
Base-Backbone interact. energy: 0.486
local terms energy: -55.514658
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -2.845
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: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -95.399716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.399716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.399716 (E_RNA)
where:
Base-Base interactions energy: -46.155
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.787
local terms energy: -48.457313
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -1.444
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -256.552093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.552093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.552093 (E_RNA)
where:
Base-Base interactions energy: -177.861
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.267
local terms energy: -78.423186
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -238.211948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.211948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.211948 (E_RNA)
where:
Base-Base interactions energy: -153.728
where: short stacking energy: -77.509
Base-Backbone interact. energy: -0.619
local terms energy: -83.865590
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -235.457046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.457046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.457046 (E_RNA)
where:
Base-Base interactions energy: -156.143
where: short stacking energy: -63.211
Base-Backbone interact. energy: -0.749
local terms energy: -78.565404
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -236.021686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.021686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.021686 (E_RNA)
where:
Base-Base interactions energy: -155.234
where: short stacking energy: -64.941
Base-Backbone interact. energy: -0.376
local terms energy: -80.411407
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -210.596411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.596411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.596411 (E_RNA)
where:
Base-Base interactions energy: -134.298
where: short stacking energy: -56.363
Base-Backbone interact. energy: -1.068
local terms energy: -75.230136
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -129.912985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.912985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.912985 (E_RNA)
where:
Base-Base interactions energy: -67.451
where: short stacking energy: -54.325
Base-Backbone interact. energy: -0.086
local terms energy: -62.375850
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -116.902789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.902789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.902789 (E_RNA)
where:
Base-Base interactions energy: -46.285
where: short stacking energy: -46.285
Base-Backbone interact. energy: -0.061
local terms energy: -70.556370
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -101.068751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.068751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.068751 (E_RNA)
where:
Base-Base interactions energy: -45.931
where: short stacking energy: -44.357
Base-Backbone interact. energy: -1.211
local terms energy: -53.926348
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -85.556411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.556411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.556411 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -33.646
Base-Backbone interact. energy: -0.166
local terms energy: -50.191473
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -80.448223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.448223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.448223 (E_RNA)
where:
Base-Base interactions energy: -32.078
where: short stacking energy: -32.078
Base-Backbone interact. energy: -0.069
local terms energy: -48.300754
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -3.625
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: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -257.157024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.157024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.157024 (E_RNA)
where:
Base-Base interactions energy: -180.115
where: short stacking energy: -76.402
Base-Backbone interact. energy: -0.132
local terms energy: -76.909416
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -11.230
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: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -241.855396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.855396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.855396 (E_RNA)
where:
Base-Base interactions energy: -159.160
where: short stacking energy: -81.242
Base-Backbone interact. energy: -0.501
local terms energy: -82.194594
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -236.937650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.937650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.937650 (E_RNA)
where:
Base-Base interactions energy: -146.857
where: short stacking energy: -71.184
Base-Backbone interact. energy: -0.205
local terms energy: -89.875689
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -233.740091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.740091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.740091 (E_RNA)
where:
Base-Base interactions energy: -155.381
where: short stacking energy: -61.567
Base-Backbone interact. energy: 0.434
local terms energy: -78.793103
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -16.735
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: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -229.642420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.642420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.642420 (E_RNA)
where:
Base-Base interactions energy: -157.587
where: short stacking energy: -59.643
Base-Backbone interact. energy: -0.209
local terms energy: -71.846367
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.318
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: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -105.788544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.788544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.788544 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -36.296
Base-Backbone interact. energy: -0.301
local terms energy: -65.751890
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -95.352909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.352909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.352909 (E_RNA)
where:
Base-Base interactions energy: -38.697
where: short stacking energy: -38.002
Base-Backbone interact. energy: -0.500
local terms energy: -56.155277
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -111.592109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.592109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.592109 (E_RNA)
where:
Base-Base interactions energy: -51.148
where: short stacking energy: -35.188
Base-Backbone interact. energy: 0.129
local terms energy: -60.573173
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -87.690662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.690662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.690662 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.282
local terms energy: -52.108180
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -79.720751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.720751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.720751 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.453
local terms energy: -42.935488
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -7.851
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -5.902
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: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -258.632211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.632211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.632211 (E_RNA)
where:
Base-Base interactions energy: -181.067
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.101
local terms energy: -77.464498
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -233.638635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.638635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.638635 (E_RNA)
where:
Base-Base interactions energy: -153.777
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.072
local terms energy: -79.788811
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -14.374
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: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -237.562387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.562387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.562387 (E_RNA)
where:
Base-Base interactions energy: -158.310
where: short stacking energy: -77.515
Base-Backbone interact. energy: -0.576
local terms energy: -78.676835
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -234.156055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.156055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.156055 (E_RNA)
where:
Base-Base interactions energy: -152.815
where: short stacking energy: -76.480
Base-Backbone interact. energy: 0.883
local terms energy: -82.224387
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -226.279876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.279876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.279876 (E_RNA)
where:
Base-Base interactions energy: -145.408
where: short stacking energy: -70.510
Base-Backbone interact. energy: -0.151
local terms energy: -80.720943
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -13.994
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: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -106.996871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.996871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.996871 (E_RNA)
where:
Base-Base interactions energy: -41.231
where: short stacking energy: -37.037
Base-Backbone interact. energy: -0.837
local terms energy: -64.928462
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -12.069
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: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -92.393459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.393459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.393459 (E_RNA)
where:
Base-Base interactions energy: -31.469
where: short stacking energy: -31.469
Base-Backbone interact. energy: -0.009
local terms energy: -60.915103
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -89.663200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663200 (E_RNA)
where:
Base-Base interactions energy: -33.596
where: short stacking energy: -33.796
Base-Backbone interact. energy: -0.120
local terms energy: -55.947149
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -105.930025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.930025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.930025 (E_RNA)
where:
Base-Base interactions energy: -56.310
where: short stacking energy: -24.159
Base-Backbone interact. energy: -1.746
local terms energy: -47.873318
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: 1.709
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: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -83.410283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.410283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.410283 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -35.594
Base-Backbone interact. energy: 0.264
local terms energy: -48.079723
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -254.946847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.946847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.946847 (E_RNA)
where:
Base-Base interactions energy: -170.359
where: short stacking energy: -74.447
Base-Backbone interact. energy: -0.038
local terms energy: -84.549495
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -247.452087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.452087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.452087 (E_RNA)
where:
Base-Base interactions energy: -168.113
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.139
local terms energy: -79.200272
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -238.052462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.052462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.052462 (E_RNA)
where:
Base-Base interactions energy: -162.710
where: short stacking energy: -72.135
Base-Backbone interact. energy: -0.100
local terms energy: -75.242350
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -7.740
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: 4, replica: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -242.682936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.682936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.682936 (E_RNA)
where:
Base-Base interactions energy: -165.376
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.469
local terms energy: -76.837543
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -212.947793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.947793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.947793 (E_RNA)
where:
Base-Base interactions energy: -148.109
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.574
local terms energy: -64.264580
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -107.730722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.730722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.730722 (E_RNA)
where:
Base-Base interactions energy: -43.065
where: short stacking energy: -34.792
Base-Backbone interact. energy: -0.252
local terms energy: -64.413968
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -109.435382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.435382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.435382 (E_RNA)
where:
Base-Base interactions energy: -48.112
where: short stacking energy: -43.412
Base-Backbone interact. energy: 3.097
local terms energy: -64.419980
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -100.338376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.338376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.338376 (E_RNA)
where:
Base-Base interactions energy: -42.941
where: short stacking energy: -39.049
Base-Backbone interact. energy: -0.424
local terms energy: -56.973272
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -90.708007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.708007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.708007 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.051
local terms energy: -57.081254
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -86.705405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.705405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.705405 (E_RNA)
where:
Base-Base interactions energy: -28.899
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.156
local terms energy: -57.650455
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -257.519352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.519352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.519352 (E_RNA)
where:
Base-Base interactions energy: -178.140
where: short stacking energy: -74.362
Base-Backbone interact. energy: 0.050
local terms energy: -79.428957
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -255.939954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.939954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.939954 (E_RNA)
where:
Base-Base interactions energy: -181.859
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.377
local terms energy: -73.704100
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -238.115193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.115193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.115193 (E_RNA)
where:
Base-Base interactions energy: -159.767
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.086
local terms energy: -78.261771
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -12.309
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: 4, replica: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -250.202868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.202868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.202868 (E_RNA)
where:
Base-Base interactions energy: -174.003
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.054
local terms energy: -76.145238
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -220.190769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.190769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.190769 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -68.631
Base-Backbone interact. energy: -0.117
local terms energy: -71.672569
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -13.717
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: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -114.789120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.789120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.789120 (E_RNA)
where:
Base-Base interactions energy: -55.686
where: short stacking energy: -47.867
Base-Backbone interact. energy: 2.116
local terms energy: -61.219080
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -7.614
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -98.752258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.752258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.752258 (E_RNA)
where:
Base-Base interactions energy: -43.112
where: short stacking energy: -43.112
Base-Backbone interact. energy: -0.059
local terms energy: -55.581357
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -6.803
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: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -86.134655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.134655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.134655 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -37.463
Base-Backbone interact. energy: -0.037
local terms energy: -48.633837
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -3.915
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: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -95.990104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.990104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.990104 (E_RNA)
where:
Base-Base interactions energy: -28.976
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.083
local terms energy: -66.930946
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -84.076565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.076565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.076565 (E_RNA)
where:
Base-Base interactions energy: -36.325
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.279
local terms energy: -47.472323
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: 2.069
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)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 23035025
moves confirmed later: 27619059
all moves confirmed: 50654084
percent of confirmed moves: 6.331760
current total energy: -227.868572
recalc. total energy: -227.868572
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 12116024
moves confirmed later: 13392039
all moves confirmed: 25508063
percent of confirmed moves: 3.188508
current total energy: -217.596645
recalc. total energy: -217.596645
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 11867984
moves confirmed later: 13094917
all moves confirmed: 24962901
percent of confirmed moves: 3.120363
current total energy: -206.930080
recalc. total energy: -206.930080
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 21198786
moves confirmed later: 25260246
all moves confirmed: 46459032
percent of confirmed moves: 5.807379
current total energy: -193.653293
recalc. total energy: -193.653293
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 17649533
moves confirmed later: 20530550
all moves confirmed: 38180083
percent of confirmed moves: 4.772510
current total energy: -189.192058
recalc. total energy: -189.192058
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 25685151
moves confirmed later: 31070111
all moves confirmed: 56755262
percent of confirmed moves: 7.094408
current total energy: -48.053269
recalc. total energy: -48.053269
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 20788465
moves confirmed later: 24576281
all moves confirmed: 45364746
percent of confirmed moves: 5.670593
current total energy: -57.243778
recalc. total energy: -57.243778
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 24443267
moves confirmed later: 29489604
all moves confirmed: 53932871
percent of confirmed moves: 6.741609
current total energy: -37.898817
recalc. total energy: -37.898817
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 18224511
moves confirmed later: 21195408
all moves confirmed: 39419919
percent of confirmed moves: 4.927490
current total energy: -52.423514
recalc. total energy: -52.423514
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 27145451
moves confirmed later: 33048594
all moves confirmed: 60194045
percent of confirmed moves: 7.524256
current total energy: -15.424840
recalc. total energy: -15.424840
out arg RESULTS//1/JEV1-6ea337b3_01
Time of doing 8000000 iterations: 4138.466 seconds